USER MOD reduce.3.24.130724 H: found=0, std=0, add=666, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 666 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 45 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 50 GLN : amide:sc= -0.803 K(o=-0.8,f=-0.14) USER MOD Set 2.1: A 35 CYS SG : rot 32:sc= -0.307 USER MOD Set 2.2: A 69 SER OG : rot -89:sc= 1.3 USER MOD Set 2.3: A 71 THR OG1 : rot -62:sc= 0.758 USER MOD Set 3.1: A 16 GLN : amide:sc= -2.57 X(o=-5,f=-4.9) USER MOD Set 3.2: A 81 MET CE :methyl -106:sc= -2.46! (180deg=-2.79!) USER MOD Set 4.1: A 5 TYR OH : rot 180:sc= 0 USER MOD Set 4.2: A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 ASN : amide:sc= -0.238 X(o=-0.24,f=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 GLN : amide:sc= -0.133 K(o=-0.13,f=-1.3!) USER MOD Single : A 13 THR OG1 : rot 180:sc= -0.156 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 ASN : amide:sc= -0.527 K(o=-0.53,f=-2.9!) USER MOD Single : A 21 LYS NZ :NH3+ -164:sc= 0.0378 (180deg=0.0102) USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 SER OG : rot 170:sc= -0.104 USER MOD Single : A 38 THR OG1 : rot 13:sc= -3.06! USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 MET CE :methyl 165:sc= -0.0131 (180deg=-0.174) USER MOD Single : A 51 ASN : amide:sc= 0 X(o=0,f=-0.067) USER MOD Single : A 53 THR OG1 : rot -150:sc= 0.0802 USER MOD Single : A 58 GLN : amide:sc= -0.365 X(o=-0.36,f=-0.24) USER MOD Single : A 60 MET CE :methyl -137:sc= -0.819 (180deg=-2.25!) USER MOD Single : A 80 MET CE :methyl -174:sc= -0.441 (180deg=-0.549) USER MOD Single : A 84 CYS SG : rot 180:sc= 0 USER MOD Single : A 85 MET CE :methyl -144:sc= -0.661 (180deg=-2.1!) USER MOD Single : A 89 SER OG : rot 38:sc= 0.503 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -6.826 4.536 8.632 1.00 0.00 N ATOM 2 CA MET A 1 -5.335 4.447 8.656 1.00 0.00 C ATOM 3 C MET A 1 -4.809 4.313 7.227 1.00 0.00 C ATOM 4 O MET A 1 -5.250 3.447 6.468 1.00 0.00 O ATOM 5 CB MET A 1 -4.905 3.228 9.480 1.00 0.00 C ATOM 6 CG MET A 1 -3.562 3.513 10.157 1.00 0.00 C ATOM 7 SD MET A 1 -3.813 4.643 11.550 1.00 0.00 S ATOM 8 CE MET A 1 -3.254 3.524 12.858 1.00 0.00 C ATOM 0 H1 MET A 1 -7.184 4.627 9.604 1.00 0.00 H new ATOM 0 H2 MET A 1 -7.115 5.367 8.077 1.00 0.00 H new ATOM 0 H3 MET A 1 -7.218 3.676 8.198 1.00 0.00 H new ATOM 0 HA MET A 1 -4.925 5.350 9.109 1.00 0.00 H new ATOM 0 HB2 MET A 1 -5.661 2.999 10.231 1.00 0.00 H new ATOM 0 HB3 MET A 1 -4.820 2.353 8.836 1.00 0.00 H new ATOM 0 HG2 MET A 1 -3.114 2.583 10.506 1.00 0.00 H new ATOM 0 HG3 MET A 1 -2.868 3.951 9.440 1.00 0.00 H new ATOM 0 HE1 MET A 1 -3.326 4.027 13.822 1.00 0.00 H new ATOM 0 HE2 MET A 1 -3.881 2.632 12.866 1.00 0.00 H new ATOM 0 HE3 MET A 1 -2.218 3.238 12.674 1.00 0.00 H new ATOM 20 N ASN A 2 -3.863 5.191 6.873 1.00 0.00 N ATOM 21 CA ASN A 2 -3.268 5.190 5.530 1.00 0.00 C ATOM 22 C ASN A 2 -4.348 5.365 4.456 1.00 0.00 C ATOM 23 O ASN A 2 -4.300 4.739 3.393 1.00 0.00 O ATOM 24 CB ASN A 2 -2.492 3.887 5.278 1.00 0.00 C ATOM 25 CG ASN A 2 -1.490 3.652 6.408 1.00 0.00 C ATOM 26 OD1 ASN A 2 -1.354 2.533 6.900 1.00 0.00 O ATOM 27 ND2 ASN A 2 -0.773 4.651 6.854 1.00 0.00 N ATOM 0 H ASN A 2 -3.493 5.910 7.495 1.00 0.00 H new ATOM 0 HA ASN A 2 -2.575 6.030 5.473 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -3.184 3.048 5.214 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -1.970 3.943 4.323 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -0.103 4.501 7.608 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -0.884 5.580 6.448 1.00 0.00 H new ATOM 34 N ASP A 3 -5.321 6.231 4.750 1.00 0.00 N ATOM 35 CA ASP A 3 -6.416 6.501 3.814 1.00 0.00 C ATOM 36 C ASP A 3 -6.132 7.749 2.959 1.00 0.00 C ATOM 37 O ASP A 3 -6.998 8.202 2.208 1.00 0.00 O ATOM 38 CB ASP A 3 -7.732 6.695 4.581 1.00 0.00 C ATOM 39 CG ASP A 3 -7.658 7.951 5.449 1.00 0.00 C ATOM 40 OD1 ASP A 3 -7.169 7.850 6.563 1.00 0.00 O ATOM 41 OD2 ASP A 3 -8.091 8.995 4.987 1.00 0.00 O ATOM 0 H ASP A 3 -5.374 6.755 5.624 1.00 0.00 H new ATOM 0 HA ASP A 3 -6.501 5.642 3.149 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -8.562 6.778 3.879 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -7.929 5.824 5.206 1.00 0.00 H new ATOM 46 N ILE A 4 -4.913 8.295 3.075 1.00 0.00 N ATOM 47 CA ILE A 4 -4.536 9.484 2.299 1.00 0.00 C ATOM 48 C ILE A 4 -4.508 9.170 0.797 1.00 0.00 C ATOM 49 O ILE A 4 -4.704 10.056 -0.037 1.00 0.00 O ATOM 50 CB ILE A 4 -3.162 10.038 2.736 1.00 0.00 C ATOM 51 CG1 ILE A 4 -2.022 9.072 2.332 1.00 0.00 C ATOM 52 CG2 ILE A 4 -3.151 10.267 4.253 1.00 0.00 C ATOM 53 CD1 ILE A 4 -1.925 7.885 3.299 1.00 0.00 C ATOM 0 H ILE A 4 -4.181 7.938 3.689 1.00 0.00 H new ATOM 0 HA ILE A 4 -5.292 10.245 2.493 1.00 0.00 H new ATOM 0 HB ILE A 4 -2.996 10.988 2.229 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -2.195 8.706 1.320 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -1.074 9.611 2.318 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -2.179 10.658 4.555 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -3.929 10.983 4.518 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -3.337 9.323 4.765 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -1.115 7.226 2.986 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -1.727 8.251 4.306 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -2.865 7.333 3.292 1.00 0.00 H new ATOM 65 N TYR A 5 -4.275 7.894 0.466 1.00 0.00 N ATOM 66 CA TYR A 5 -4.236 7.460 -0.934 1.00 0.00 C ATOM 67 C TYR A 5 -5.655 7.386 -1.505 1.00 0.00 C ATOM 68 O TYR A 5 -5.872 7.641 -2.691 1.00 0.00 O ATOM 69 CB TYR A 5 -3.572 6.081 -1.056 1.00 0.00 C ATOM 70 CG TYR A 5 -2.265 6.075 -0.293 1.00 0.00 C ATOM 71 CD1 TYR A 5 -1.196 6.868 -0.725 1.00 0.00 C ATOM 72 CD2 TYR A 5 -2.130 5.280 0.850 1.00 0.00 C ATOM 73 CE1 TYR A 5 0.010 6.866 -0.013 1.00 0.00 C ATOM 74 CE2 TYR A 5 -0.924 5.276 1.562 1.00 0.00 C ATOM 75 CZ TYR A 5 0.146 6.069 1.130 1.00 0.00 C ATOM 76 OH TYR A 5 1.335 6.065 1.832 1.00 0.00 O ATOM 0 H TYR A 5 -4.112 7.149 1.144 1.00 0.00 H new ATOM 0 HA TYR A 5 -3.653 8.189 -1.497 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -4.236 5.311 -0.664 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -3.393 5.844 -2.105 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -1.301 7.482 -1.608 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -2.956 4.669 1.183 1.00 0.00 H new ATOM 0 HE1 TYR A 5 0.835 7.479 -0.345 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -0.819 4.661 2.444 1.00 0.00 H new ATOM 0 HH TYR A 5 1.260 5.459 2.599 1.00 0.00 H new ATOM 86 N LYS A 6 -6.617 7.038 -0.639 1.00 0.00 N ATOM 87 CA LYS A 6 -8.021 6.935 -1.048 1.00 0.00 C ATOM 88 C LYS A 6 -8.561 8.289 -1.523 1.00 0.00 C ATOM 89 O LYS A 6 -9.479 8.344 -2.343 1.00 0.00 O ATOM 90 CB LYS A 6 -8.884 6.444 0.120 1.00 0.00 C ATOM 91 CG LYS A 6 -10.108 5.699 -0.422 1.00 0.00 C ATOM 92 CD LYS A 6 -10.882 5.070 0.741 1.00 0.00 C ATOM 93 CE LYS A 6 -10.163 3.803 1.213 1.00 0.00 C ATOM 94 NZ LYS A 6 -10.286 3.681 2.694 1.00 0.00 N ATOM 0 H LYS A 6 -6.448 6.824 0.344 1.00 0.00 H new ATOM 0 HA LYS A 6 -8.069 6.222 -1.871 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -8.301 5.786 0.764 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -9.201 7.289 0.731 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -10.751 6.387 -0.971 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -9.795 4.926 -1.124 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -10.964 5.781 1.563 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -11.897 4.828 0.426 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -10.593 2.927 0.729 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -9.112 3.841 0.927 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -9.797 2.820 3.013 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -9.856 4.512 3.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -11.291 3.626 2.955 1.00 0.00 H new ATOM 108 N ALA A 7 -7.988 9.377 -0.999 1.00 0.00 N ATOM 109 CA ALA A 7 -8.424 10.723 -1.378 1.00 0.00 C ATOM 110 C ALA A 7 -8.193 10.982 -2.869 1.00 0.00 C ATOM 111 O ALA A 7 -9.022 11.599 -3.529 1.00 0.00 O ATOM 112 CB ALA A 7 -7.668 11.784 -0.572 1.00 0.00 C ATOM 0 H ALA A 7 -7.229 9.353 -0.318 1.00 0.00 H new ATOM 0 HA ALA A 7 -9.491 10.788 -1.164 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -8.007 12.776 -0.869 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -7.860 11.638 0.491 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -6.599 11.693 -0.764 1.00 0.00 H new ATOM 118 N ALA A 8 -7.056 10.506 -3.391 1.00 0.00 N ATOM 119 CA ALA A 8 -6.728 10.706 -4.809 1.00 0.00 C ATOM 120 C ALA A 8 -7.560 9.796 -5.709 1.00 0.00 C ATOM 121 O ALA A 8 -8.082 10.236 -6.731 1.00 0.00 O ATOM 122 CB ALA A 8 -5.246 10.423 -5.062 1.00 0.00 C ATOM 0 H ALA A 8 -6.356 9.986 -2.862 1.00 0.00 H new ATOM 0 HA ALA A 8 -6.955 11.745 -5.047 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -5.021 10.576 -6.118 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -4.639 11.099 -4.460 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -5.021 9.392 -4.789 1.00 0.00 H new ATOM 128 N VAL A 9 -7.673 8.525 -5.321 1.00 0.00 N ATOM 129 CA VAL A 9 -8.445 7.558 -6.107 1.00 0.00 C ATOM 130 C VAL A 9 -9.941 7.916 -6.113 1.00 0.00 C ATOM 131 O VAL A 9 -10.682 7.503 -7.007 1.00 0.00 O ATOM 132 CB VAL A 9 -8.242 6.137 -5.554 1.00 0.00 C ATOM 133 CG1 VAL A 9 -8.972 5.981 -4.218 1.00 0.00 C ATOM 134 CG2 VAL A 9 -8.782 5.111 -6.556 1.00 0.00 C ATOM 0 H VAL A 9 -7.246 8.143 -4.477 1.00 0.00 H new ATOM 0 HA VAL A 9 -8.083 7.594 -7.135 1.00 0.00 H new ATOM 0 HB VAL A 9 -7.176 5.968 -5.398 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -8.821 4.971 -3.837 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -8.578 6.702 -3.502 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -10.038 6.158 -4.363 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -8.637 4.105 -6.161 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -9.845 5.287 -6.719 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -8.249 5.210 -7.501 1.00 0.00 H new ATOM 144 N GLU A 10 -10.375 8.694 -5.114 1.00 0.00 N ATOM 145 CA GLU A 10 -11.776 9.106 -5.026 1.00 0.00 C ATOM 146 C GLU A 10 -12.065 10.310 -5.932 1.00 0.00 C ATOM 147 O GLU A 10 -13.218 10.558 -6.290 1.00 0.00 O ATOM 148 CB GLU A 10 -12.143 9.472 -3.584 1.00 0.00 C ATOM 149 CG GLU A 10 -12.560 8.209 -2.825 1.00 0.00 C ATOM 150 CD GLU A 10 -12.997 8.583 -1.413 1.00 0.00 C ATOM 151 OE1 GLU A 10 -14.173 8.852 -1.228 1.00 0.00 O ATOM 152 OE2 GLU A 10 -12.149 8.593 -0.534 1.00 0.00 O ATOM 0 H GLU A 10 -9.781 9.047 -4.364 1.00 0.00 H new ATOM 0 HA GLU A 10 -12.380 8.261 -5.357 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -11.293 9.942 -3.090 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -12.956 10.198 -3.578 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -13.375 7.710 -3.349 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -11.729 7.505 -2.785 1.00 0.00 H new ATOM 159 N GLN A 11 -11.014 11.056 -6.301 1.00 0.00 N ATOM 160 CA GLN A 11 -11.189 12.229 -7.167 1.00 0.00 C ATOM 161 C GLN A 11 -10.152 12.233 -8.293 1.00 0.00 C ATOM 162 O GLN A 11 -9.702 13.292 -8.740 1.00 0.00 O ATOM 163 CB GLN A 11 -11.068 13.531 -6.357 1.00 0.00 C ATOM 164 CG GLN A 11 -9.857 13.449 -5.422 1.00 0.00 C ATOM 165 CD GLN A 11 -9.246 14.832 -5.216 1.00 0.00 C ATOM 166 OE1 GLN A 11 -9.189 15.643 -6.141 1.00 0.00 O ATOM 167 NE2 GLN A 11 -8.773 15.149 -4.040 1.00 0.00 N ATOM 0 H GLN A 11 -10.051 10.873 -6.019 1.00 0.00 H new ATOM 0 HA GLN A 11 -12.187 12.172 -7.601 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -10.962 14.381 -7.031 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -11.976 13.695 -5.777 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -10.159 13.032 -4.461 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -9.111 12.774 -5.842 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -8.820 14.478 -3.274 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -8.357 16.068 -3.888 1.00 0.00 H new ATOM 176 N LEU A 12 -9.781 11.035 -8.752 1.00 0.00 N ATOM 177 CA LEU A 12 -8.797 10.913 -9.834 1.00 0.00 C ATOM 178 C LEU A 12 -9.438 11.237 -11.186 1.00 0.00 C ATOM 179 O LEU A 12 -10.626 11.560 -11.265 1.00 0.00 O ATOM 180 CB LEU A 12 -8.186 9.503 -9.883 1.00 0.00 C ATOM 181 CG LEU A 12 -9.132 8.325 -9.617 1.00 0.00 C ATOM 182 CD1 LEU A 12 -10.453 8.514 -10.369 1.00 0.00 C ATOM 183 CD2 LEU A 12 -8.457 7.035 -10.087 1.00 0.00 C ATOM 0 H LEU A 12 -10.140 10.148 -8.399 1.00 0.00 H new ATOM 0 HA LEU A 12 -8.001 11.629 -9.629 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -7.738 9.362 -10.866 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -7.377 9.459 -9.154 1.00 0.00 H new ATOM 0 HG LEU A 12 -9.347 8.272 -8.550 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -11.111 7.668 -10.168 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -10.933 9.434 -10.036 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -10.257 8.574 -11.440 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -9.120 6.190 -9.903 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -8.244 7.104 -11.154 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -7.526 6.891 -9.539 1.00 0.00 H new ATOM 195 N THR A 13 -8.636 11.150 -12.250 1.00 0.00 N ATOM 196 CA THR A 13 -9.130 11.437 -13.595 1.00 0.00 C ATOM 197 C THR A 13 -9.153 10.174 -14.442 1.00 0.00 C ATOM 198 O THR A 13 -8.562 9.153 -14.083 1.00 0.00 O ATOM 199 CB THR A 13 -8.243 12.473 -14.302 1.00 0.00 C ATOM 200 OG1 THR A 13 -6.956 12.503 -13.702 1.00 0.00 O ATOM 201 CG2 THR A 13 -8.887 13.853 -14.204 1.00 0.00 C ATOM 0 H THR A 13 -7.652 10.886 -12.206 1.00 0.00 H new ATOM 0 HA THR A 13 -10.140 11.832 -13.486 1.00 0.00 H new ATOM 0 HB THR A 13 -8.140 12.195 -15.351 1.00 0.00 H new ATOM 0 HG1 THR A 13 -6.397 13.165 -14.160 1.00 0.00 H new ATOM 0 HG21 THR A 13 -8.255 14.586 -14.706 1.00 0.00 H new ATOM 0 HG22 THR A 13 -9.867 13.832 -14.680 1.00 0.00 H new ATOM 0 HG23 THR A 13 -8.999 14.129 -13.155 1.00 0.00 H new ATOM 209 N ASP A 14 -9.824 10.268 -15.591 1.00 0.00 N ATOM 210 CA ASP A 14 -9.900 9.139 -16.513 1.00 0.00 C ATOM 211 C ASP A 14 -8.522 8.879 -17.115 1.00 0.00 C ATOM 212 O ASP A 14 -8.155 7.735 -17.373 1.00 0.00 O ATOM 213 CB ASP A 14 -10.901 9.417 -17.639 1.00 0.00 C ATOM 214 CG ASP A 14 -11.615 8.122 -18.017 1.00 0.00 C ATOM 215 OD1 ASP A 14 -12.511 7.726 -17.287 1.00 0.00 O ATOM 216 OD2 ASP A 14 -11.259 7.545 -19.031 1.00 0.00 O ATOM 0 H ASP A 14 -10.317 11.105 -15.901 1.00 0.00 H new ATOM 0 HA ASP A 14 -10.237 8.264 -15.958 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -11.627 10.165 -17.318 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -10.384 9.826 -18.507 1.00 0.00 H new ATOM 221 N GLU A 15 -7.755 9.960 -17.314 1.00 0.00 N ATOM 222 CA GLU A 15 -6.405 9.840 -17.865 1.00 0.00 C ATOM 223 C GLU A 15 -5.465 9.206 -16.833 1.00 0.00 C ATOM 224 O GLU A 15 -4.561 8.448 -17.187 1.00 0.00 O ATOM 225 CB GLU A 15 -5.858 11.216 -18.261 1.00 0.00 C ATOM 226 CG GLU A 15 -6.542 11.693 -19.547 1.00 0.00 C ATOM 227 CD GLU A 15 -5.947 10.961 -20.749 1.00 0.00 C ATOM 228 OE1 GLU A 15 -4.945 11.427 -21.265 1.00 0.00 O ATOM 229 OE2 GLU A 15 -6.505 9.946 -21.136 1.00 0.00 O ATOM 0 H GLU A 15 -8.045 10.915 -17.103 1.00 0.00 H new ATOM 0 HA GLU A 15 -6.458 9.206 -18.750 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -6.032 11.932 -17.458 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -4.780 11.160 -18.410 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -7.615 11.507 -19.490 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -6.411 12.769 -19.663 1.00 0.00 H new ATOM 236 N GLN A 16 -5.700 9.521 -15.551 1.00 0.00 N ATOM 237 CA GLN A 16 -4.881 8.973 -14.466 1.00 0.00 C ATOM 238 C GLN A 16 -5.051 7.457 -14.384 1.00 0.00 C ATOM 239 O GLN A 16 -4.067 6.713 -14.356 1.00 0.00 O ATOM 240 CB GLN A 16 -5.280 9.591 -13.121 1.00 0.00 C ATOM 241 CG GLN A 16 -4.191 9.311 -12.081 1.00 0.00 C ATOM 242 CD GLN A 16 -4.781 9.374 -10.675 1.00 0.00 C ATOM 243 OE1 GLN A 16 -4.673 8.419 -9.906 1.00 0.00 O ATOM 244 NE2 GLN A 16 -5.410 10.452 -10.288 1.00 0.00 N ATOM 0 H GLN A 16 -6.444 10.147 -15.244 1.00 0.00 H new ATOM 0 HA GLN A 16 -3.840 9.214 -14.680 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -5.423 10.666 -13.232 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -6.231 9.176 -12.787 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -3.753 8.328 -12.257 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -3.387 10.040 -12.180 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -5.501 11.245 -10.923 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -5.810 10.500 -9.351 1.00 0.00 H new ATOM 253 N LYS A 17 -6.309 7.007 -14.353 1.00 0.00 N ATOM 254 CA LYS A 17 -6.594 5.573 -14.284 1.00 0.00 C ATOM 255 C LYS A 17 -6.254 4.894 -15.614 1.00 0.00 C ATOM 256 O LYS A 17 -5.830 3.741 -15.633 1.00 0.00 O ATOM 257 CB LYS A 17 -8.065 5.311 -13.924 1.00 0.00 C ATOM 258 CG LYS A 17 -8.998 6.030 -14.905 1.00 0.00 C ATOM 259 CD LYS A 17 -10.378 6.205 -14.266 1.00 0.00 C ATOM 260 CE LYS A 17 -11.062 4.839 -14.129 1.00 0.00 C ATOM 261 NZ LYS A 17 -11.061 4.418 -12.697 1.00 0.00 N ATOM 0 H LYS A 17 -7.134 7.606 -14.374 1.00 0.00 H new ATOM 0 HA LYS A 17 -5.970 5.150 -13.497 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -8.264 4.240 -13.943 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -8.263 5.654 -12.908 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -8.583 7.002 -15.171 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -9.083 5.457 -15.828 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -10.279 6.673 -13.286 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -10.990 6.869 -14.876 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -12.085 4.895 -14.501 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -10.542 4.098 -14.736 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -11.525 3.492 -12.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -10.081 4.349 -12.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -11.576 5.120 -12.128 1.00 0.00 H new ATOM 275 N ASN A 18 -6.423 5.628 -16.724 1.00 0.00 N ATOM 276 CA ASN A 18 -6.105 5.084 -18.050 1.00 0.00 C ATOM 277 C ASN A 18 -4.612 4.777 -18.155 1.00 0.00 C ATOM 278 O ASN A 18 -4.215 3.803 -18.797 1.00 0.00 O ATOM 279 CB ASN A 18 -6.476 6.081 -19.157 1.00 0.00 C ATOM 280 CG ASN A 18 -7.914 5.850 -19.620 1.00 0.00 C ATOM 281 OD1 ASN A 18 -8.470 4.763 -19.448 1.00 0.00 O ATOM 282 ND2 ASN A 18 -8.558 6.821 -20.210 1.00 0.00 N ATOM 0 H ASN A 18 -6.773 6.586 -16.730 1.00 0.00 H new ATOM 0 HA ASN A 18 -6.684 4.170 -18.177 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -6.365 7.101 -18.789 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -5.793 5.970 -19.999 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -9.517 6.679 -20.526 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -8.102 7.722 -20.354 1.00 0.00 H new ATOM 289 N GLU A 19 -3.792 5.619 -17.512 1.00 0.00 N ATOM 290 CA GLU A 19 -2.338 5.435 -17.528 1.00 0.00 C ATOM 291 C GLU A 19 -1.975 4.036 -17.027 1.00 0.00 C ATOM 292 O GLU A 19 -1.201 3.318 -17.663 1.00 0.00 O ATOM 293 CB GLU A 19 -1.656 6.479 -16.635 1.00 0.00 C ATOM 294 CG GLU A 19 -0.137 6.408 -16.818 1.00 0.00 C ATOM 295 CD GLU A 19 0.514 7.621 -16.158 1.00 0.00 C ATOM 296 OE1 GLU A 19 0.760 7.560 -14.964 1.00 0.00 O ATOM 297 OE2 GLU A 19 0.756 8.592 -16.855 1.00 0.00 O ATOM 0 H GLU A 19 -4.109 6.428 -16.978 1.00 0.00 H new ATOM 0 HA GLU A 19 -1.992 5.556 -18.555 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -2.015 7.477 -16.887 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -1.914 6.302 -15.591 1.00 0.00 H new ATOM 0 HG2 GLU A 19 0.250 5.489 -16.377 1.00 0.00 H new ATOM 0 HG3 GLU A 19 0.111 6.381 -17.879 1.00 0.00 H new ATOM 304 N PHE A 20 -2.552 3.659 -15.883 1.00 0.00 N ATOM 305 CA PHE A 20 -2.292 2.342 -15.301 1.00 0.00 C ATOM 306 C PHE A 20 -3.103 1.263 -16.017 1.00 0.00 C ATOM 307 O PHE A 20 -2.579 0.201 -16.341 1.00 0.00 O ATOM 308 CB PHE A 20 -2.658 2.330 -13.816 1.00 0.00 C ATOM 309 CG PHE A 20 -1.527 2.916 -13.006 1.00 0.00 C ATOM 310 CD1 PHE A 20 -1.495 4.290 -12.742 1.00 0.00 C ATOM 311 CD2 PHE A 20 -0.513 2.085 -12.514 1.00 0.00 C ATOM 312 CE1 PHE A 20 -0.451 4.832 -11.987 1.00 0.00 C ATOM 313 CE2 PHE A 20 0.531 2.626 -11.758 1.00 0.00 C ATOM 314 CZ PHE A 20 0.563 4.001 -11.494 1.00 0.00 C ATOM 0 H PHE A 20 -3.196 4.241 -15.347 1.00 0.00 H new ATOM 0 HA PHE A 20 -1.229 2.133 -15.418 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -3.570 2.904 -13.652 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -2.860 1.310 -13.490 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -2.277 4.931 -13.122 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -0.538 1.025 -12.719 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -0.426 5.892 -11.784 1.00 0.00 H new ATOM 0 HE2 PHE A 20 1.312 1.984 -11.378 1.00 0.00 H new ATOM 0 HZ PHE A 20 1.369 4.420 -10.911 1.00 0.00 H new ATOM 324 N LYS A 21 -4.390 1.547 -16.253 1.00 0.00 N ATOM 325 CA LYS A 21 -5.281 0.591 -16.926 1.00 0.00 C ATOM 326 C LYS A 21 -4.666 0.089 -18.238 1.00 0.00 C ATOM 327 O LYS A 21 -4.811 -1.084 -18.584 1.00 0.00 O ATOM 328 CB LYS A 21 -6.640 1.240 -17.214 1.00 0.00 C ATOM 329 CG LYS A 21 -7.610 0.196 -17.780 1.00 0.00 C ATOM 330 CD LYS A 21 -7.696 0.346 -19.301 1.00 0.00 C ATOM 331 CE LYS A 21 -9.042 -0.190 -19.798 1.00 0.00 C ATOM 332 NZ LYS A 21 -8.836 -0.964 -21.056 1.00 0.00 N ATOM 0 H LYS A 21 -4.837 2.426 -15.990 1.00 0.00 H new ATOM 0 HA LYS A 21 -5.419 -0.260 -16.259 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -7.048 1.670 -16.299 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -6.518 2.058 -17.924 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -7.271 -0.807 -17.522 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -8.597 0.323 -17.336 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -7.586 1.394 -19.579 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -6.879 -0.197 -19.776 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -9.495 -0.826 -19.038 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -9.731 0.636 -19.975 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -9.749 -1.095 -21.536 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -8.188 -0.444 -21.681 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -8.428 -1.893 -20.829 1.00 0.00 H new ATOM 346 N ALA A 22 -3.969 0.981 -18.954 1.00 0.00 N ATOM 347 CA ALA A 22 -3.322 0.605 -20.216 1.00 0.00 C ATOM 348 C ALA A 22 -2.348 -0.549 -19.977 1.00 0.00 C ATOM 349 O ALA A 22 -2.431 -1.595 -20.624 1.00 0.00 O ATOM 350 CB ALA A 22 -2.556 1.792 -20.804 1.00 0.00 C ATOM 0 H ALA A 22 -3.840 1.956 -18.685 1.00 0.00 H new ATOM 0 HA ALA A 22 -4.096 0.297 -20.919 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -2.083 1.493 -21.739 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -3.247 2.613 -20.993 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -1.791 2.117 -20.099 1.00 0.00 H new ATOM 356 N ALA A 23 -1.440 -0.347 -19.015 1.00 0.00 N ATOM 357 CA ALA A 23 -0.461 -1.373 -18.658 1.00 0.00 C ATOM 358 C ALA A 23 -1.168 -2.565 -18.012 1.00 0.00 C ATOM 359 O ALA A 23 -0.768 -3.713 -18.193 1.00 0.00 O ATOM 360 CB ALA A 23 0.573 -0.811 -17.676 1.00 0.00 C ATOM 0 H ALA A 23 -1.365 0.514 -18.474 1.00 0.00 H new ATOM 0 HA ALA A 23 0.047 -1.694 -19.568 1.00 0.00 H new ATOM 0 HB1 ALA A 23 1.293 -1.589 -17.422 1.00 0.00 H new ATOM 0 HB2 ALA A 23 1.093 0.029 -18.136 1.00 0.00 H new ATOM 0 HB3 ALA A 23 0.069 -0.473 -16.771 1.00 0.00 H new ATOM 366 N PHE A 24 -2.233 -2.275 -17.261 1.00 0.00 N ATOM 367 CA PHE A 24 -3.007 -3.322 -16.593 1.00 0.00 C ATOM 368 C PHE A 24 -3.574 -4.307 -17.616 1.00 0.00 C ATOM 369 O PHE A 24 -3.564 -5.516 -17.396 1.00 0.00 O ATOM 370 CB PHE A 24 -4.168 -2.705 -15.803 1.00 0.00 C ATOM 371 CG PHE A 24 -4.631 -3.669 -14.736 1.00 0.00 C ATOM 372 CD1 PHE A 24 -5.481 -4.731 -15.068 1.00 0.00 C ATOM 373 CD2 PHE A 24 -4.211 -3.499 -13.413 1.00 0.00 C ATOM 374 CE1 PHE A 24 -5.908 -5.620 -14.077 1.00 0.00 C ATOM 375 CE2 PHE A 24 -4.638 -4.387 -12.424 1.00 0.00 C ATOM 376 CZ PHE A 24 -5.487 -5.447 -12.755 1.00 0.00 C ATOM 0 H PHE A 24 -2.577 -1.328 -17.101 1.00 0.00 H new ATOM 0 HA PHE A 24 -2.339 -3.850 -15.912 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -3.851 -1.767 -15.346 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -4.993 -2.469 -16.476 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -5.807 -4.863 -16.089 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -3.556 -2.680 -13.156 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -6.563 -6.440 -14.333 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -4.312 -4.255 -11.403 1.00 0.00 H new ATOM 0 HZ PHE A 24 -5.818 -6.133 -11.989 1.00 0.00 H new ATOM 386 N ASP A 25 -4.070 -3.771 -18.736 1.00 0.00 N ATOM 387 CA ASP A 25 -4.651 -4.602 -19.794 1.00 0.00 C ATOM 388 C ASP A 25 -3.609 -5.542 -20.407 1.00 0.00 C ATOM 389 O ASP A 25 -3.893 -6.717 -20.653 1.00 0.00 O ATOM 390 CB ASP A 25 -5.239 -3.721 -20.903 1.00 0.00 C ATOM 391 CG ASP A 25 -6.497 -4.376 -21.466 1.00 0.00 C ATOM 392 OD1 ASP A 25 -6.361 -5.229 -22.329 1.00 0.00 O ATOM 393 OD2 ASP A 25 -7.576 -4.017 -21.026 1.00 0.00 O ATOM 0 H ASP A 25 -4.081 -2.770 -18.932 1.00 0.00 H new ATOM 0 HA ASP A 25 -5.439 -5.202 -19.338 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -5.477 -2.733 -20.509 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -4.505 -3.579 -21.696 1.00 0.00 H new ATOM 398 N ILE A 26 -2.407 -5.015 -20.662 1.00 0.00 N ATOM 399 CA ILE A 26 -1.339 -5.824 -21.267 1.00 0.00 C ATOM 400 C ILE A 26 -0.728 -6.803 -20.254 1.00 0.00 C ATOM 401 O ILE A 26 -0.418 -7.943 -20.601 1.00 0.00 O ATOM 402 CB ILE A 26 -0.229 -4.934 -21.858 1.00 0.00 C ATOM 403 CG1 ILE A 26 0.304 -3.970 -20.789 1.00 0.00 C ATOM 404 CG2 ILE A 26 -0.798 -4.131 -23.031 1.00 0.00 C ATOM 405 CD1 ILE A 26 1.474 -3.158 -21.349 1.00 0.00 C ATOM 0 H ILE A 26 -2.150 -4.048 -20.464 1.00 0.00 H new ATOM 0 HA ILE A 26 -1.798 -6.398 -22.072 1.00 0.00 H new ATOM 0 HB ILE A 26 0.590 -5.566 -22.203 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -0.491 -3.299 -20.464 1.00 0.00 H new ATOM 0 HG13 ILE A 26 0.627 -4.530 -19.912 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -0.016 -3.499 -23.453 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -1.164 -4.815 -23.797 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -1.619 -3.506 -22.680 1.00 0.00 H new ATOM 0 HD11 ILE A 26 1.844 -2.477 -20.582 1.00 0.00 H new ATOM 0 HD12 ILE A 26 2.274 -3.834 -21.652 1.00 0.00 H new ATOM 0 HD13 ILE A 26 1.138 -2.584 -22.212 1.00 0.00 H new ATOM 417 N PHE A 27 -0.553 -6.353 -19.004 1.00 0.00 N ATOM 418 CA PHE A 27 0.026 -7.218 -17.965 1.00 0.00 C ATOM 419 C PHE A 27 -0.975 -8.292 -17.522 1.00 0.00 C ATOM 420 O PHE A 27 -0.583 -9.411 -17.188 1.00 0.00 O ATOM 421 CB PHE A 27 0.466 -6.398 -16.744 1.00 0.00 C ATOM 422 CG PHE A 27 1.662 -5.541 -17.106 1.00 0.00 C ATOM 423 CD1 PHE A 27 2.787 -6.115 -17.715 1.00 0.00 C ATOM 424 CD2 PHE A 27 1.640 -4.167 -16.840 1.00 0.00 C ATOM 425 CE1 PHE A 27 3.883 -5.316 -18.056 1.00 0.00 C ATOM 426 CE2 PHE A 27 2.736 -3.368 -17.185 1.00 0.00 C ATOM 427 CZ PHE A 27 3.857 -3.942 -17.792 1.00 0.00 C ATOM 0 H PHE A 27 -0.798 -5.414 -18.691 1.00 0.00 H new ATOM 0 HA PHE A 27 0.900 -7.703 -18.399 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -0.355 -5.767 -16.403 1.00 0.00 H new ATOM 0 HB3 PHE A 27 0.720 -7.064 -15.919 1.00 0.00 H new ATOM 0 HD1 PHE A 27 2.807 -7.175 -17.921 1.00 0.00 H new ATOM 0 HD2 PHE A 27 0.776 -3.723 -16.368 1.00 0.00 H new ATOM 0 HE1 PHE A 27 4.750 -5.760 -18.523 1.00 0.00 H new ATOM 0 HE2 PHE A 27 2.716 -2.307 -16.982 1.00 0.00 H new ATOM 0 HZ PHE A 27 4.703 -3.325 -18.057 1.00 0.00 H new ATOM 437 N ILE A 28 -2.271 -7.948 -17.535 1.00 0.00 N ATOM 438 CA ILE A 28 -3.315 -8.901 -17.146 1.00 0.00 C ATOM 439 C ILE A 28 -3.976 -9.493 -18.410 1.00 0.00 C ATOM 440 O ILE A 28 -5.182 -9.735 -18.469 1.00 0.00 O ATOM 441 CB ILE A 28 -4.336 -8.200 -16.216 1.00 0.00 C ATOM 442 CG1 ILE A 28 -4.883 -9.204 -15.189 1.00 0.00 C ATOM 443 CG2 ILE A 28 -5.493 -7.563 -17.001 1.00 0.00 C ATOM 444 CD1 ILE A 28 -5.834 -10.201 -15.857 1.00 0.00 C ATOM 0 H ILE A 28 -2.616 -7.028 -17.808 1.00 0.00 H new ATOM 0 HA ILE A 28 -2.882 -9.731 -16.588 1.00 0.00 H new ATOM 0 HB ILE A 28 -3.812 -7.395 -15.700 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -4.057 -9.740 -14.722 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -5.407 -8.671 -14.396 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -6.183 -7.084 -16.307 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -5.098 -6.818 -17.692 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -6.020 -8.335 -17.562 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -6.209 -10.902 -15.111 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -6.671 -9.663 -16.302 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -5.300 -10.749 -16.634 1.00 0.00 H new ATOM 456 N GLN A 29 -3.138 -9.735 -19.424 1.00 0.00 N ATOM 457 CA GLN A 29 -3.602 -10.303 -20.688 1.00 0.00 C ATOM 458 C GLN A 29 -3.764 -11.818 -20.566 1.00 0.00 C ATOM 459 O GLN A 29 -4.814 -12.370 -20.901 1.00 0.00 O ATOM 460 CB GLN A 29 -2.599 -9.992 -21.803 1.00 0.00 C ATOM 461 CG GLN A 29 -3.158 -10.452 -23.152 1.00 0.00 C ATOM 462 CD GLN A 29 -2.243 -9.969 -24.273 1.00 0.00 C ATOM 463 OE1 GLN A 29 -1.571 -10.771 -24.921 1.00 0.00 O ATOM 464 NE2 GLN A 29 -2.174 -8.692 -24.542 1.00 0.00 N ATOM 0 H GLN A 29 -2.136 -9.545 -19.391 1.00 0.00 H new ATOM 0 HA GLN A 29 -4.567 -9.858 -20.930 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -2.394 -8.922 -21.831 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -1.652 -10.493 -21.602 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -3.235 -11.539 -23.174 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -4.164 -10.058 -23.294 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -2.731 -8.027 -24.005 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -1.563 -8.360 -25.289 1.00 0.00 H new ATOM 473 N ASP A 30 -2.708 -12.482 -20.086 1.00 0.00 N ATOM 474 CA ASP A 30 -2.735 -13.938 -19.926 1.00 0.00 C ATOM 475 C ASP A 30 -3.353 -14.356 -18.582 1.00 0.00 C ATOM 476 O ASP A 30 -3.478 -15.551 -18.302 1.00 0.00 O ATOM 477 CB ASP A 30 -1.314 -14.508 -20.019 1.00 0.00 C ATOM 478 CG ASP A 30 -0.810 -14.393 -21.457 1.00 0.00 C ATOM 479 OD1 ASP A 30 -0.277 -13.350 -21.796 1.00 0.00 O ATOM 480 OD2 ASP A 30 -0.964 -15.351 -22.197 1.00 0.00 O ATOM 0 H ASP A 30 -1.833 -12.040 -19.804 1.00 0.00 H new ATOM 0 HA ASP A 30 -3.354 -14.337 -20.729 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -0.649 -13.967 -19.345 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -1.308 -15.551 -19.703 1.00 0.00 H new ATOM 485 N ALA A 31 -3.752 -13.375 -17.757 1.00 0.00 N ATOM 486 CA ALA A 31 -4.363 -13.683 -16.464 1.00 0.00 C ATOM 487 C ALA A 31 -5.885 -13.585 -16.562 1.00 0.00 C ATOM 488 O ALA A 31 -6.422 -12.852 -17.395 1.00 0.00 O ATOM 489 CB ALA A 31 -3.864 -12.719 -15.385 1.00 0.00 C ATOM 0 H ALA A 31 -3.663 -12.380 -17.961 1.00 0.00 H new ATOM 0 HA ALA A 31 -4.080 -14.699 -16.191 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -4.331 -12.966 -14.432 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -2.781 -12.806 -15.292 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -4.123 -11.697 -15.662 1.00 0.00 H new ATOM 495 N GLU A 32 -6.569 -14.338 -15.700 1.00 0.00 N ATOM 496 CA GLU A 32 -8.036 -14.341 -15.689 1.00 0.00 C ATOM 497 C GLU A 32 -8.570 -14.113 -14.270 1.00 0.00 C ATOM 498 O GLU A 32 -9.591 -14.684 -13.874 1.00 0.00 O ATOM 499 CB GLU A 32 -8.571 -15.674 -16.227 1.00 0.00 C ATOM 500 CG GLU A 32 -8.126 -15.859 -17.682 1.00 0.00 C ATOM 501 CD GLU A 32 -8.951 -16.965 -18.336 1.00 0.00 C ATOM 502 OE1 GLU A 32 -8.568 -18.115 -18.212 1.00 0.00 O ATOM 503 OE2 GLU A 32 -9.954 -16.642 -18.952 1.00 0.00 O ATOM 0 H GLU A 32 -6.138 -14.949 -15.006 1.00 0.00 H new ATOM 0 HA GLU A 32 -8.378 -13.529 -16.330 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -8.202 -16.498 -15.616 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -9.659 -15.692 -16.164 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -8.250 -14.926 -18.232 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -7.066 -16.112 -17.719 1.00 0.00 H new ATOM 510 N ASP A 33 -7.867 -13.270 -13.509 1.00 0.00 N ATOM 511 CA ASP A 33 -8.268 -12.965 -12.132 1.00 0.00 C ATOM 512 C ASP A 33 -8.606 -11.481 -11.974 1.00 0.00 C ATOM 513 O ASP A 33 -9.530 -11.120 -11.241 1.00 0.00 O ATOM 514 CB ASP A 33 -7.142 -13.323 -11.156 1.00 0.00 C ATOM 515 CG ASP A 33 -6.992 -14.840 -11.078 1.00 0.00 C ATOM 516 OD1 ASP A 33 -6.252 -15.386 -11.881 1.00 0.00 O ATOM 517 OD2 ASP A 33 -7.619 -15.435 -10.216 1.00 0.00 O ATOM 0 H ASP A 33 -7.023 -12.789 -13.820 1.00 0.00 H new ATOM 0 HA ASP A 33 -9.154 -13.559 -11.908 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -6.206 -12.872 -11.484 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -7.362 -12.918 -10.168 1.00 0.00 H new ATOM 522 N GLY A 34 -7.842 -10.625 -12.662 1.00 0.00 N ATOM 523 CA GLY A 34 -8.055 -9.179 -12.590 1.00 0.00 C ATOM 524 C GLY A 34 -6.941 -8.510 -11.786 1.00 0.00 C ATOM 525 O GLY A 34 -7.193 -7.595 -11.002 1.00 0.00 O ATOM 0 H GLY A 34 -7.075 -10.909 -13.271 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -8.087 -8.760 -13.596 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -9.020 -8.971 -12.128 1.00 0.00 H new ATOM 529 N CYS A 35 -5.707 -8.985 -11.989 1.00 0.00 N ATOM 530 CA CYS A 35 -4.550 -8.439 -11.280 1.00 0.00 C ATOM 531 C CYS A 35 -3.260 -8.767 -12.035 1.00 0.00 C ATOM 532 O CYS A 35 -3.122 -9.847 -12.614 1.00 0.00 O ATOM 533 CB CYS A 35 -4.469 -9.021 -9.866 1.00 0.00 C ATOM 534 SG CYS A 35 -4.602 -10.826 -9.941 1.00 0.00 S ATOM 0 H CYS A 35 -5.487 -9.743 -12.636 1.00 0.00 H new ATOM 0 HA CYS A 35 -4.667 -7.357 -11.219 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -3.527 -8.735 -9.398 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -5.269 -8.613 -9.248 1.00 0.00 H new ATOM 0 HG CYS A 35 -4.071 -11.255 -11.048 1.00 0.00 H new ATOM 540 N ILE A 36 -2.316 -7.823 -12.015 1.00 0.00 N ATOM 541 CA ILE A 36 -1.034 -8.022 -12.699 1.00 0.00 C ATOM 542 C ILE A 36 -0.047 -8.732 -11.775 1.00 0.00 C ATOM 543 O ILE A 36 -0.286 -8.860 -10.572 1.00 0.00 O ATOM 544 CB ILE A 36 -0.424 -6.678 -13.150 1.00 0.00 C ATOM 545 CG1 ILE A 36 0.129 -5.909 -11.936 1.00 0.00 C ATOM 546 CG2 ILE A 36 -1.493 -5.829 -13.848 1.00 0.00 C ATOM 547 CD1 ILE A 36 1.660 -6.014 -11.910 1.00 0.00 C ATOM 0 H ILE A 36 -2.411 -6.925 -11.540 1.00 0.00 H new ATOM 0 HA ILE A 36 -1.223 -8.635 -13.580 1.00 0.00 H new ATOM 0 HB ILE A 36 0.391 -6.881 -13.845 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -0.172 -4.863 -11.988 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -0.289 -6.316 -11.015 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -1.056 -4.882 -14.164 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -1.870 -6.363 -14.720 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -2.314 -5.637 -13.157 1.00 0.00 H new ATOM 0 HD11 ILE A 36 2.048 -5.469 -11.050 1.00 0.00 H new ATOM 0 HD12 ILE A 36 1.952 -7.062 -11.837 1.00 0.00 H new ATOM 0 HD13 ILE A 36 2.070 -5.586 -12.825 1.00 0.00 H new ATOM 559 N SER A 37 1.072 -9.176 -12.347 1.00 0.00 N ATOM 560 CA SER A 37 2.094 -9.851 -11.558 1.00 0.00 C ATOM 561 C SER A 37 2.877 -8.814 -10.758 1.00 0.00 C ATOM 562 O SER A 37 3.750 -8.126 -11.293 1.00 0.00 O ATOM 563 CB SER A 37 3.050 -10.632 -12.465 1.00 0.00 C ATOM 564 OG SER A 37 3.478 -11.810 -11.796 1.00 0.00 O ATOM 0 H SER A 37 1.289 -9.081 -13.339 1.00 0.00 H new ATOM 0 HA SER A 37 1.610 -10.555 -10.881 1.00 0.00 H new ATOM 0 HB2 SER A 37 2.552 -10.892 -13.399 1.00 0.00 H new ATOM 0 HB3 SER A 37 3.910 -10.014 -12.723 1.00 0.00 H new ATOM 0 HG SER A 37 3.956 -12.389 -12.426 1.00 0.00 H new ATOM 570 N THR A 38 2.541 -8.697 -9.469 1.00 0.00 N ATOM 571 CA THR A 38 3.206 -7.731 -8.591 1.00 0.00 C ATOM 572 C THR A 38 4.721 -7.968 -8.577 1.00 0.00 C ATOM 573 O THR A 38 5.503 -7.022 -8.477 1.00 0.00 O ATOM 574 CB THR A 38 2.631 -7.817 -7.170 1.00 0.00 C ATOM 575 OG1 THR A 38 2.893 -6.605 -6.489 1.00 0.00 O ATOM 576 CG2 THR A 38 3.256 -8.983 -6.403 1.00 0.00 C ATOM 0 H THR A 38 1.818 -9.255 -9.014 1.00 0.00 H new ATOM 0 HA THR A 38 3.022 -6.729 -8.977 1.00 0.00 H new ATOM 0 HB THR A 38 1.556 -7.984 -7.234 1.00 0.00 H new ATOM 0 HG1 THR A 38 3.189 -5.927 -7.131 1.00 0.00 H new ATOM 0 HG21 THR A 38 2.834 -9.026 -5.399 1.00 0.00 H new ATOM 0 HG22 THR A 38 3.045 -9.916 -6.925 1.00 0.00 H new ATOM 0 HG23 THR A 38 4.335 -8.839 -6.338 1.00 0.00 H new ATOM 584 N LYS A 39 5.125 -9.237 -8.708 1.00 0.00 N ATOM 585 CA LYS A 39 6.550 -9.580 -8.740 1.00 0.00 C ATOM 586 C LYS A 39 7.204 -9.016 -10.009 1.00 0.00 C ATOM 587 O LYS A 39 8.399 -8.713 -10.022 1.00 0.00 O ATOM 588 CB LYS A 39 6.747 -11.103 -8.699 1.00 0.00 C ATOM 589 CG LYS A 39 6.113 -11.755 -9.936 1.00 0.00 C ATOM 590 CD LYS A 39 5.477 -13.093 -9.545 1.00 0.00 C ATOM 591 CE LYS A 39 6.566 -14.161 -9.409 1.00 0.00 C ATOM 592 NZ LYS A 39 6.208 -15.104 -8.310 1.00 0.00 N ATOM 0 H LYS A 39 4.494 -10.034 -8.793 1.00 0.00 H new ATOM 0 HA LYS A 39 7.022 -9.140 -7.861 1.00 0.00 H new ATOM 0 HB2 LYS A 39 7.811 -11.338 -8.660 1.00 0.00 H new ATOM 0 HB3 LYS A 39 6.297 -11.511 -7.794 1.00 0.00 H new ATOM 0 HG2 LYS A 39 5.359 -11.093 -10.362 1.00 0.00 H new ATOM 0 HG3 LYS A 39 6.870 -11.912 -10.705 1.00 0.00 H new ATOM 0 HD2 LYS A 39 4.937 -12.989 -8.604 1.00 0.00 H new ATOM 0 HD3 LYS A 39 4.750 -13.395 -10.299 1.00 0.00 H new ATOM 0 HE2 LYS A 39 6.675 -14.705 -10.347 1.00 0.00 H new ATOM 0 HE3 LYS A 39 7.527 -13.691 -9.200 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 6.949 -15.828 -8.219 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 6.125 -14.580 -7.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 5.300 -15.562 -8.528 1.00 0.00 H new ATOM 606 N GLU A 40 6.398 -8.869 -11.073 1.00 0.00 N ATOM 607 CA GLU A 40 6.894 -8.334 -12.342 1.00 0.00 C ATOM 608 C GLU A 40 6.655 -6.818 -12.443 1.00 0.00 C ATOM 609 O GLU A 40 6.676 -6.255 -13.540 1.00 0.00 O ATOM 610 CB GLU A 40 6.203 -9.026 -13.523 1.00 0.00 C ATOM 611 CG GLU A 40 6.645 -10.491 -13.590 1.00 0.00 C ATOM 612 CD GLU A 40 6.059 -11.148 -14.838 1.00 0.00 C ATOM 613 OE1 GLU A 40 6.657 -11.008 -15.894 1.00 0.00 O ATOM 614 OE2 GLU A 40 5.024 -11.782 -14.720 1.00 0.00 O ATOM 0 H GLU A 40 5.407 -9.113 -11.076 1.00 0.00 H new ATOM 0 HA GLU A 40 7.966 -8.526 -12.377 1.00 0.00 H new ATOM 0 HB2 GLU A 40 5.121 -8.967 -13.409 1.00 0.00 H new ATOM 0 HB3 GLU A 40 6.454 -8.517 -14.454 1.00 0.00 H new ATOM 0 HG2 GLU A 40 7.733 -10.552 -13.612 1.00 0.00 H new ATOM 0 HG3 GLU A 40 6.314 -11.022 -12.698 1.00 0.00 H new ATOM 621 N LEU A 41 6.436 -6.159 -11.290 1.00 0.00 N ATOM 622 CA LEU A 41 6.210 -4.706 -11.266 1.00 0.00 C ATOM 623 C LEU A 41 7.319 -3.958 -12.017 1.00 0.00 C ATOM 624 O LEU A 41 7.086 -2.873 -12.545 1.00 0.00 O ATOM 625 CB LEU A 41 6.154 -4.186 -9.824 1.00 0.00 C ATOM 626 CG LEU A 41 4.933 -3.318 -9.478 1.00 0.00 C ATOM 627 CD1 LEU A 41 4.871 -2.110 -10.417 1.00 0.00 C ATOM 628 CD2 LEU A 41 3.652 -4.145 -9.629 1.00 0.00 C ATOM 0 H LEU A 41 6.411 -6.606 -10.373 1.00 0.00 H new ATOM 0 HA LEU A 41 5.255 -4.523 -11.759 1.00 0.00 H new ATOM 0 HB2 LEU A 41 6.173 -5.041 -9.148 1.00 0.00 H new ATOM 0 HB3 LEU A 41 7.056 -3.606 -9.631 1.00 0.00 H new ATOM 0 HG LEU A 41 5.024 -2.971 -8.449 1.00 0.00 H new ATOM 0 HD11 LEU A 41 4.004 -1.499 -10.167 1.00 0.00 H new ATOM 0 HD12 LEU A 41 5.778 -1.516 -10.306 1.00 0.00 H new ATOM 0 HD13 LEU A 41 4.787 -2.454 -11.448 1.00 0.00 H new ATOM 0 HD21 LEU A 41 2.789 -3.527 -9.383 1.00 0.00 H new ATOM 0 HD22 LEU A 41 3.565 -4.497 -10.657 1.00 0.00 H new ATOM 0 HD23 LEU A 41 3.690 -5.000 -8.955 1.00 0.00 H new ATOM 640 N GLY A 42 8.522 -4.551 -12.071 1.00 0.00 N ATOM 641 CA GLY A 42 9.645 -3.929 -12.778 1.00 0.00 C ATOM 642 C GLY A 42 9.284 -3.679 -14.245 1.00 0.00 C ATOM 643 O GLY A 42 9.615 -2.635 -14.809 1.00 0.00 O ATOM 0 H GLY A 42 8.738 -5.449 -11.638 1.00 0.00 H new ATOM 0 HA2 GLY A 42 9.908 -2.987 -12.297 1.00 0.00 H new ATOM 0 HA3 GLY A 42 10.522 -4.574 -12.718 1.00 0.00 H new ATOM 647 N LYS A 43 8.578 -4.648 -14.845 1.00 0.00 N ATOM 648 CA LYS A 43 8.142 -4.531 -16.241 1.00 0.00 C ATOM 649 C LYS A 43 7.073 -3.440 -16.382 1.00 0.00 C ATOM 650 O LYS A 43 6.864 -2.897 -17.469 1.00 0.00 O ATOM 651 CB LYS A 43 7.556 -5.858 -16.736 1.00 0.00 C ATOM 652 CG LYS A 43 8.651 -6.927 -16.766 1.00 0.00 C ATOM 653 CD LYS A 43 8.077 -8.231 -17.325 1.00 0.00 C ATOM 654 CE LYS A 43 9.218 -9.124 -17.821 1.00 0.00 C ATOM 655 NZ LYS A 43 9.972 -9.673 -16.656 1.00 0.00 N ATOM 0 H LYS A 43 8.299 -5.516 -14.388 1.00 0.00 H new ATOM 0 HA LYS A 43 9.015 -4.270 -16.840 1.00 0.00 H new ATOM 0 HB2 LYS A 43 6.744 -6.174 -16.082 1.00 0.00 H new ATOM 0 HB3 LYS A 43 7.132 -5.730 -17.732 1.00 0.00 H new ATOM 0 HG2 LYS A 43 9.485 -6.591 -17.382 1.00 0.00 H new ATOM 0 HG3 LYS A 43 9.042 -7.090 -15.762 1.00 0.00 H new ATOM 0 HD2 LYS A 43 7.506 -8.748 -16.554 1.00 0.00 H new ATOM 0 HD3 LYS A 43 7.388 -8.016 -18.142 1.00 0.00 H new ATOM 0 HE2 LYS A 43 8.818 -9.939 -18.424 1.00 0.00 H new ATOM 0 HE3 LYS A 43 9.888 -8.551 -18.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 10.746 -10.279 -16.997 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 10.366 -8.889 -16.097 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 9.330 -10.234 -16.060 1.00 0.00 H new ATOM 669 N VAL A 44 6.408 -3.121 -15.266 1.00 0.00 N ATOM 670 CA VAL A 44 5.373 -2.089 -15.255 1.00 0.00 C ATOM 671 C VAL A 44 6.017 -0.720 -15.064 1.00 0.00 C ATOM 672 O VAL A 44 5.707 0.230 -15.780 1.00 0.00 O ATOM 673 CB VAL A 44 4.376 -2.322 -14.113 1.00 0.00 C ATOM 674 CG1 VAL A 44 3.134 -1.462 -14.343 1.00 0.00 C ATOM 675 CG2 VAL A 44 3.971 -3.801 -14.060 1.00 0.00 C ATOM 0 H VAL A 44 6.570 -3.564 -14.361 1.00 0.00 H new ATOM 0 HA VAL A 44 4.843 -2.133 -16.206 1.00 0.00 H new ATOM 0 HB VAL A 44 4.845 -2.048 -13.168 1.00 0.00 H new ATOM 0 HG11 VAL A 44 2.423 -1.625 -13.533 1.00 0.00 H new ATOM 0 HG12 VAL A 44 3.419 -0.410 -14.369 1.00 0.00 H new ATOM 0 HG13 VAL A 44 2.672 -1.736 -15.292 1.00 0.00 H new ATOM 0 HG21 VAL A 44 3.263 -3.955 -13.246 1.00 0.00 H new ATOM 0 HG22 VAL A 44 3.506 -4.085 -15.004 1.00 0.00 H new ATOM 0 HG23 VAL A 44 4.856 -4.415 -13.893 1.00 0.00 H new ATOM 685 N MET A 45 6.920 -0.640 -14.081 1.00 0.00 N ATOM 686 CA MET A 45 7.620 0.607 -13.784 1.00 0.00 C ATOM 687 C MET A 45 8.351 1.124 -15.021 1.00 0.00 C ATOM 688 O MET A 45 8.290 2.312 -15.326 1.00 0.00 O ATOM 689 CB MET A 45 8.636 0.405 -12.652 1.00 0.00 C ATOM 690 CG MET A 45 8.348 1.396 -11.522 1.00 0.00 C ATOM 691 SD MET A 45 7.167 0.663 -10.362 1.00 0.00 S ATOM 692 CE MET A 45 6.454 2.211 -9.755 1.00 0.00 C ATOM 0 H MET A 45 7.180 -1.423 -13.481 1.00 0.00 H new ATOM 0 HA MET A 45 6.873 1.337 -13.473 1.00 0.00 H new ATOM 0 HB2 MET A 45 8.579 -0.617 -12.277 1.00 0.00 H new ATOM 0 HB3 MET A 45 9.649 0.551 -13.028 1.00 0.00 H new ATOM 0 HG2 MET A 45 9.272 1.651 -11.004 1.00 0.00 H new ATOM 0 HG3 MET A 45 7.945 2.323 -11.931 1.00 0.00 H new ATOM 0 HE1 MET A 45 5.686 1.992 -9.013 1.00 0.00 H new ATOM 0 HE2 MET A 45 7.236 2.818 -9.299 1.00 0.00 H new ATOM 0 HE3 MET A 45 6.009 2.757 -10.587 1.00 0.00 H new ATOM 702 N ARG A 46 9.035 0.219 -15.735 1.00 0.00 N ATOM 703 CA ARG A 46 9.766 0.612 -16.950 1.00 0.00 C ATOM 704 C ARG A 46 8.809 1.212 -17.985 1.00 0.00 C ATOM 705 O ARG A 46 9.167 2.138 -18.715 1.00 0.00 O ATOM 706 CB ARG A 46 10.514 -0.584 -17.564 1.00 0.00 C ATOM 707 CG ARG A 46 9.534 -1.713 -17.904 1.00 0.00 C ATOM 708 CD ARG A 46 9.201 -1.680 -19.399 1.00 0.00 C ATOM 709 NE ARG A 46 9.988 -2.676 -20.130 1.00 0.00 N ATOM 710 CZ ARG A 46 9.614 -3.964 -20.203 1.00 0.00 C ATOM 711 NH1 ARG A 46 8.518 -4.382 -19.616 1.00 0.00 N ATOM 712 NH2 ARG A 46 10.353 -4.812 -20.872 1.00 0.00 N ATOM 0 H ARG A 46 9.098 -0.771 -15.500 1.00 0.00 H new ATOM 0 HA ARG A 46 10.499 1.366 -16.663 1.00 0.00 H new ATOM 0 HB2 ARG A 46 11.040 -0.268 -18.465 1.00 0.00 H new ATOM 0 HB3 ARG A 46 11.268 -0.947 -16.865 1.00 0.00 H new ATOM 0 HG2 ARG A 46 9.970 -2.677 -17.641 1.00 0.00 H new ATOM 0 HG3 ARG A 46 8.622 -1.604 -17.317 1.00 0.00 H new ATOM 0 HD2 ARG A 46 8.138 -1.873 -19.544 1.00 0.00 H new ATOM 0 HD3 ARG A 46 9.402 -0.686 -19.799 1.00 0.00 H new ATOM 0 HE ARG A 46 10.846 -2.383 -20.598 1.00 0.00 H new ATOM 0 HH11 ARG A 46 7.936 -3.726 -19.095 1.00 0.00 H new ATOM 0 HH12 ARG A 46 8.247 -5.363 -19.681 1.00 0.00 H new ATOM 0 HH21 ARG A 46 11.205 -4.493 -21.333 1.00 0.00 H new ATOM 0 HH22 ARG A 46 10.077 -5.792 -20.933 1.00 0.00 H new ATOM 726 N MET A 47 7.579 0.686 -18.021 1.00 0.00 N ATOM 727 CA MET A 47 6.562 1.186 -18.947 1.00 0.00 C ATOM 728 C MET A 47 6.035 2.543 -18.472 1.00 0.00 C ATOM 729 O MET A 47 5.698 3.410 -19.280 1.00 0.00 O ATOM 730 CB MET A 47 5.391 0.200 -19.037 1.00 0.00 C ATOM 731 CG MET A 47 4.891 0.117 -20.481 1.00 0.00 C ATOM 732 SD MET A 47 6.114 -0.750 -21.498 1.00 0.00 S ATOM 733 CE MET A 47 5.643 -2.437 -21.040 1.00 0.00 C ATOM 0 H MET A 47 7.268 -0.080 -17.424 1.00 0.00 H new ATOM 0 HA MET A 47 7.021 1.295 -19.930 1.00 0.00 H new ATOM 0 HB2 MET A 47 5.707 -0.786 -18.695 1.00 0.00 H new ATOM 0 HB3 MET A 47 4.582 0.521 -18.381 1.00 0.00 H new ATOM 0 HG2 MET A 47 3.936 -0.407 -20.516 1.00 0.00 H new ATOM 0 HG3 MET A 47 4.719 1.119 -20.875 1.00 0.00 H new ATOM 0 HE1 MET A 47 6.085 -3.142 -21.744 1.00 0.00 H new ATOM 0 HE2 MET A 47 6.003 -2.655 -20.035 1.00 0.00 H new ATOM 0 HE3 MET A 47 4.557 -2.531 -21.065 1.00 0.00 H new ATOM 743 N LEU A 48 5.975 2.713 -17.145 1.00 0.00 N ATOM 744 CA LEU A 48 5.497 3.962 -16.548 1.00 0.00 C ATOM 745 C LEU A 48 6.555 5.065 -16.678 1.00 0.00 C ATOM 746 O LEU A 48 6.220 6.244 -16.806 1.00 0.00 O ATOM 747 CB LEU A 48 5.169 3.750 -15.065 1.00 0.00 C ATOM 748 CG LEU A 48 3.731 3.306 -14.751 1.00 0.00 C ATOM 749 CD1 LEU A 48 3.256 2.272 -15.780 1.00 0.00 C ATOM 750 CD2 LEU A 48 3.685 2.683 -13.352 1.00 0.00 C ATOM 0 H LEU A 48 6.251 2.002 -16.468 1.00 0.00 H new ATOM 0 HA LEU A 48 4.596 4.267 -17.081 1.00 0.00 H new ATOM 0 HB2 LEU A 48 5.855 3.003 -14.665 1.00 0.00 H new ATOM 0 HB3 LEU A 48 5.365 4.681 -14.533 1.00 0.00 H new ATOM 0 HG LEU A 48 3.076 4.176 -14.793 1.00 0.00 H new ATOM 0 HD11 LEU A 48 2.236 1.967 -15.545 1.00 0.00 H new ATOM 0 HD12 LEU A 48 3.282 2.712 -16.777 1.00 0.00 H new ATOM 0 HD13 LEU A 48 3.911 1.401 -15.750 1.00 0.00 H new ATOM 0 HD21 LEU A 48 2.666 2.368 -13.128 1.00 0.00 H new ATOM 0 HD22 LEU A 48 4.349 1.819 -13.316 1.00 0.00 H new ATOM 0 HD23 LEU A 48 4.008 3.419 -12.615 1.00 0.00 H new ATOM 762 N GLY A 49 7.834 4.665 -16.656 1.00 0.00 N ATOM 763 CA GLY A 49 8.939 5.624 -16.784 1.00 0.00 C ATOM 764 C GLY A 49 9.939 5.538 -15.620 1.00 0.00 C ATOM 765 O GLY A 49 10.715 6.469 -15.400 1.00 0.00 O ATOM 0 H GLY A 49 8.127 3.694 -16.552 1.00 0.00 H new ATOM 0 HA2 GLY A 49 9.464 5.444 -17.722 1.00 0.00 H new ATOM 0 HA3 GLY A 49 8.533 6.634 -16.835 1.00 0.00 H new ATOM 769 N GLN A 50 9.921 4.421 -14.877 1.00 0.00 N ATOM 770 CA GLN A 50 10.836 4.241 -13.742 1.00 0.00 C ATOM 771 C GLN A 50 11.458 2.840 -13.761 1.00 0.00 C ATOM 772 O GLN A 50 11.058 1.979 -14.545 1.00 0.00 O ATOM 773 CB GLN A 50 10.087 4.430 -12.418 1.00 0.00 C ATOM 774 CG GLN A 50 9.405 5.801 -12.400 1.00 0.00 C ATOM 775 CD GLN A 50 7.910 5.628 -12.145 1.00 0.00 C ATOM 776 OE1 GLN A 50 7.492 5.380 -11.014 1.00 0.00 O ATOM 777 NE2 GLN A 50 7.072 5.746 -13.139 1.00 0.00 N ATOM 0 H GLN A 50 9.289 3.637 -15.040 1.00 0.00 H new ATOM 0 HA GLN A 50 11.625 4.988 -13.830 1.00 0.00 H new ATOM 0 HB2 GLN A 50 9.344 3.642 -12.294 1.00 0.00 H new ATOM 0 HB3 GLN A 50 10.781 4.348 -11.582 1.00 0.00 H new ATOM 0 HG2 GLN A 50 9.846 6.427 -11.624 1.00 0.00 H new ATOM 0 HG3 GLN A 50 9.565 6.310 -13.350 1.00 0.00 H new ATOM 0 HE21 GLN A 50 7.418 5.952 -14.076 1.00 0.00 H new ATOM 0 HE22 GLN A 50 6.071 5.633 -12.978 1.00 0.00 H new ATOM 786 N ASN A 51 12.441 2.621 -12.882 1.00 0.00 N ATOM 787 CA ASN A 51 13.109 1.319 -12.800 1.00 0.00 C ATOM 788 C ASN A 51 13.798 1.157 -11.438 1.00 0.00 C ATOM 789 O ASN A 51 14.976 1.485 -11.282 1.00 0.00 O ATOM 790 CB ASN A 51 14.144 1.171 -13.924 1.00 0.00 C ATOM 791 CG ASN A 51 14.191 -0.285 -14.384 1.00 0.00 C ATOM 792 OD1 ASN A 51 13.331 -0.728 -15.146 1.00 0.00 O ATOM 793 ND2 ASN A 51 15.153 -1.062 -13.965 1.00 0.00 N ATOM 0 H ASN A 51 12.788 3.319 -12.225 1.00 0.00 H new ATOM 0 HA ASN A 51 12.353 0.542 -12.912 1.00 0.00 H new ATOM 0 HB2 ASN A 51 13.884 1.820 -14.760 1.00 0.00 H new ATOM 0 HB3 ASN A 51 15.127 1.484 -13.572 1.00 0.00 H new ATOM 0 HD21 ASN A 51 15.192 -2.035 -14.269 1.00 0.00 H new ATOM 0 HD22 ASN A 51 15.866 -0.696 -13.334 1.00 0.00 H new ATOM 800 N PRO A 52 13.059 0.654 -10.438 1.00 0.00 N ATOM 801 CA PRO A 52 13.594 0.453 -9.076 1.00 0.00 C ATOM 802 C PRO A 52 14.351 -0.873 -8.919 1.00 0.00 C ATOM 803 O PRO A 52 14.778 -1.484 -9.902 1.00 0.00 O ATOM 804 CB PRO A 52 12.320 0.454 -8.235 1.00 0.00 C ATOM 805 CG PRO A 52 11.177 0.045 -9.154 1.00 0.00 C ATOM 806 CD PRO A 52 11.645 0.260 -10.599 1.00 0.00 C ATOM 0 HA PRO A 52 14.327 1.210 -8.796 1.00 0.00 H new ATOM 0 HB2 PRO A 52 12.410 -0.240 -7.399 1.00 0.00 H new ATOM 0 HB3 PRO A 52 12.139 1.442 -7.811 1.00 0.00 H new ATOM 0 HG2 PRO A 52 10.908 -0.998 -8.990 1.00 0.00 H new ATOM 0 HG3 PRO A 52 10.287 0.640 -8.947 1.00 0.00 H new ATOM 0 HD2 PRO A 52 11.545 -0.647 -11.194 1.00 0.00 H new ATOM 0 HD3 PRO A 52 11.065 1.035 -11.099 1.00 0.00 H new ATOM 814 N THR A 53 14.505 -1.303 -7.664 1.00 0.00 N ATOM 815 CA THR A 53 15.203 -2.556 -7.351 1.00 0.00 C ATOM 816 C THR A 53 14.178 -3.626 -6.949 1.00 0.00 C ATOM 817 O THR A 53 12.983 -3.337 -6.864 1.00 0.00 O ATOM 818 CB THR A 53 16.208 -2.329 -6.200 1.00 0.00 C ATOM 819 OG1 THR A 53 15.545 -2.453 -4.948 1.00 0.00 O ATOM 820 CG2 THR A 53 16.824 -0.931 -6.310 1.00 0.00 C ATOM 0 H THR A 53 14.156 -0.803 -6.847 1.00 0.00 H new ATOM 0 HA THR A 53 15.750 -2.893 -8.232 1.00 0.00 H new ATOM 0 HB THR A 53 16.997 -3.078 -6.270 1.00 0.00 H new ATOM 0 HG1 THR A 53 15.986 -1.881 -4.286 1.00 0.00 H new ATOM 0 HG21 THR A 53 17.531 -0.780 -5.494 1.00 0.00 H new ATOM 0 HG22 THR A 53 17.344 -0.836 -7.263 1.00 0.00 H new ATOM 0 HG23 THR A 53 16.036 -0.180 -6.251 1.00 0.00 H new ATOM 828 N PRO A 54 14.620 -4.868 -6.686 1.00 0.00 N ATOM 829 CA PRO A 54 13.697 -5.946 -6.282 1.00 0.00 C ATOM 830 C PRO A 54 13.205 -5.776 -4.843 1.00 0.00 C ATOM 831 O PRO A 54 12.083 -6.165 -4.512 1.00 0.00 O ATOM 832 CB PRO A 54 14.547 -7.199 -6.454 1.00 0.00 C ATOM 833 CG PRO A 54 16.001 -6.761 -6.383 1.00 0.00 C ATOM 834 CD PRO A 54 16.042 -5.275 -6.757 1.00 0.00 C ATOM 0 HA PRO A 54 12.780 -5.967 -6.871 1.00 0.00 H new ATOM 0 HB2 PRO A 54 14.325 -7.926 -5.673 1.00 0.00 H new ATOM 0 HB3 PRO A 54 14.335 -7.681 -7.408 1.00 0.00 H new ATOM 0 HG2 PRO A 54 16.402 -6.918 -5.382 1.00 0.00 H new ATOM 0 HG3 PRO A 54 16.614 -7.348 -7.067 1.00 0.00 H new ATOM 0 HD2 PRO A 54 16.660 -4.703 -6.065 1.00 0.00 H new ATOM 0 HD3 PRO A 54 16.455 -5.122 -7.754 1.00 0.00 H new ATOM 842 N GLU A 55 14.042 -5.157 -4.001 1.00 0.00 N ATOM 843 CA GLU A 55 13.657 -4.904 -2.610 1.00 0.00 C ATOM 844 C GLU A 55 12.785 -3.645 -2.527 1.00 0.00 C ATOM 845 O GLU A 55 11.921 -3.533 -1.656 1.00 0.00 O ATOM 846 CB GLU A 55 14.889 -4.744 -1.703 1.00 0.00 C ATOM 847 CG GLU A 55 15.780 -3.600 -2.202 1.00 0.00 C ATOM 848 CD GLU A 55 16.795 -3.232 -1.123 1.00 0.00 C ATOM 849 OE1 GLU A 55 17.854 -3.835 -1.103 1.00 0.00 O ATOM 850 OE2 GLU A 55 16.496 -2.351 -0.335 1.00 0.00 O ATOM 0 H GLU A 55 14.974 -4.828 -4.254 1.00 0.00 H new ATOM 0 HA GLU A 55 13.089 -5.766 -2.260 1.00 0.00 H new ATOM 0 HB2 GLU A 55 14.571 -4.545 -0.680 1.00 0.00 H new ATOM 0 HB3 GLU A 55 15.457 -5.674 -1.685 1.00 0.00 H new ATOM 0 HG2 GLU A 55 16.296 -3.899 -3.114 1.00 0.00 H new ATOM 0 HG3 GLU A 55 15.169 -2.732 -2.452 1.00 0.00 H new ATOM 857 N GLU A 56 13.022 -2.703 -3.453 1.00 0.00 N ATOM 858 CA GLU A 56 12.261 -1.453 -3.493 1.00 0.00 C ATOM 859 C GLU A 56 10.867 -1.683 -4.082 1.00 0.00 C ATOM 860 O GLU A 56 9.888 -1.090 -3.629 1.00 0.00 O ATOM 861 CB GLU A 56 12.992 -0.409 -4.341 1.00 0.00 C ATOM 862 CG GLU A 56 12.713 0.991 -3.787 1.00 0.00 C ATOM 863 CD GLU A 56 13.878 1.916 -4.131 1.00 0.00 C ATOM 864 OE1 GLU A 56 13.872 2.464 -5.222 1.00 0.00 O ATOM 865 OE2 GLU A 56 14.758 2.063 -3.299 1.00 0.00 O ATOM 0 H GLU A 56 13.733 -2.786 -4.180 1.00 0.00 H new ATOM 0 HA GLU A 56 12.164 -1.091 -2.469 1.00 0.00 H new ATOM 0 HB2 GLU A 56 14.064 -0.607 -4.334 1.00 0.00 H new ATOM 0 HB3 GLU A 56 12.662 -0.473 -5.378 1.00 0.00 H new ATOM 0 HG2 GLU A 56 11.787 1.383 -4.208 1.00 0.00 H new ATOM 0 HG3 GLU A 56 12.577 0.946 -2.706 1.00 0.00 H new ATOM 872 N LEU A 57 10.786 -2.550 -5.098 1.00 0.00 N ATOM 873 CA LEU A 57 9.504 -2.845 -5.730 1.00 0.00 C ATOM 874 C LEU A 57 8.646 -3.749 -4.837 1.00 0.00 C ATOM 875 O LEU A 57 7.421 -3.671 -4.868 1.00 0.00 O ATOM 876 CB LEU A 57 9.711 -3.517 -7.096 1.00 0.00 C ATOM 877 CG LEU A 57 10.191 -4.976 -7.066 1.00 0.00 C ATOM 878 CD1 LEU A 57 8.991 -5.918 -6.909 1.00 0.00 C ATOM 879 CD2 LEU A 57 10.915 -5.295 -8.379 1.00 0.00 C ATOM 0 H LEU A 57 11.582 -3.051 -5.492 1.00 0.00 H new ATOM 0 HA LEU A 57 8.983 -1.898 -5.875 1.00 0.00 H new ATOM 0 HB2 LEU A 57 8.770 -3.477 -7.644 1.00 0.00 H new ATOM 0 HB3 LEU A 57 10.434 -2.929 -7.661 1.00 0.00 H new ATOM 0 HG LEU A 57 10.869 -5.115 -6.224 1.00 0.00 H new ATOM 0 HD11 LEU A 57 9.339 -6.951 -6.889 1.00 0.00 H new ATOM 0 HD12 LEU A 57 8.470 -5.692 -5.978 1.00 0.00 H new ATOM 0 HD13 LEU A 57 8.309 -5.782 -7.748 1.00 0.00 H new ATOM 0 HD21 LEU A 57 11.258 -6.330 -8.363 1.00 0.00 H new ATOM 0 HD22 LEU A 57 10.231 -5.152 -9.216 1.00 0.00 H new ATOM 0 HD23 LEU A 57 11.771 -4.631 -8.493 1.00 0.00 H new ATOM 891 N GLN A 58 9.299 -4.611 -4.047 1.00 0.00 N ATOM 892 CA GLN A 58 8.570 -5.524 -3.162 1.00 0.00 C ATOM 893 C GLN A 58 8.042 -4.796 -1.922 1.00 0.00 C ATOM 894 O GLN A 58 6.904 -5.021 -1.506 1.00 0.00 O ATOM 895 CB GLN A 58 9.465 -6.686 -2.722 1.00 0.00 C ATOM 896 CG GLN A 58 8.608 -7.786 -2.085 1.00 0.00 C ATOM 897 CD GLN A 58 7.724 -8.442 -3.147 1.00 0.00 C ATOM 898 OE1 GLN A 58 8.195 -9.263 -3.934 1.00 0.00 O ATOM 899 NE2 GLN A 58 6.456 -8.125 -3.220 1.00 0.00 N ATOM 0 H GLN A 58 10.315 -4.694 -4.003 1.00 0.00 H new ATOM 0 HA GLN A 58 7.724 -5.914 -3.728 1.00 0.00 H new ATOM 0 HB2 GLN A 58 10.007 -7.085 -3.579 1.00 0.00 H new ATOM 0 HB3 GLN A 58 10.210 -6.334 -2.009 1.00 0.00 H new ATOM 0 HG2 GLN A 58 9.249 -8.535 -1.621 1.00 0.00 H new ATOM 0 HG3 GLN A 58 7.988 -7.363 -1.294 1.00 0.00 H new ATOM 0 HE21 GLN A 58 6.062 -7.445 -2.570 1.00 0.00 H new ATOM 0 HE22 GLN A 58 5.862 -8.558 -3.927 1.00 0.00 H new ATOM 908 N GLU A 59 8.872 -3.927 -1.332 1.00 0.00 N ATOM 909 CA GLU A 59 8.460 -3.183 -0.135 1.00 0.00 C ATOM 910 C GLU A 59 7.245 -2.291 -0.420 1.00 0.00 C ATOM 911 O GLU A 59 6.397 -2.098 0.454 1.00 0.00 O ATOM 912 CB GLU A 59 9.617 -2.330 0.411 1.00 0.00 C ATOM 913 CG GLU A 59 10.069 -1.302 -0.634 1.00 0.00 C ATOM 914 CD GLU A 59 9.502 0.077 -0.296 1.00 0.00 C ATOM 915 OE1 GLU A 59 9.763 0.555 0.798 1.00 0.00 O ATOM 916 OE2 GLU A 59 8.821 0.637 -1.137 1.00 0.00 O ATOM 0 H GLU A 59 9.817 -3.724 -1.657 1.00 0.00 H new ATOM 0 HA GLU A 59 8.179 -3.918 0.619 1.00 0.00 H new ATOM 0 HB2 GLU A 59 9.301 -1.818 1.320 1.00 0.00 H new ATOM 0 HB3 GLU A 59 10.454 -2.973 0.682 1.00 0.00 H new ATOM 0 HG2 GLU A 59 11.158 -1.258 -0.665 1.00 0.00 H new ATOM 0 HG3 GLU A 59 9.734 -1.608 -1.625 1.00 0.00 H new ATOM 923 N MET A 60 7.151 -1.764 -1.650 1.00 0.00 N ATOM 924 CA MET A 60 6.012 -0.919 -2.016 1.00 0.00 C ATOM 925 C MET A 60 4.781 -1.789 -2.288 1.00 0.00 C ATOM 926 O MET A 60 3.648 -1.366 -2.054 1.00 0.00 O ATOM 927 CB MET A 60 6.326 -0.053 -3.247 1.00 0.00 C ATOM 928 CG MET A 60 6.601 -0.932 -4.471 1.00 0.00 C ATOM 929 SD MET A 60 6.621 0.095 -5.961 1.00 0.00 S ATOM 930 CE MET A 60 8.306 0.734 -5.781 1.00 0.00 C ATOM 0 H MET A 60 7.836 -1.906 -2.392 1.00 0.00 H new ATOM 0 HA MET A 60 5.807 -0.251 -1.179 1.00 0.00 H new ATOM 0 HB2 MET A 60 5.488 0.613 -3.452 1.00 0.00 H new ATOM 0 HB3 MET A 60 7.192 0.577 -3.043 1.00 0.00 H new ATOM 0 HG2 MET A 60 7.556 -1.444 -4.357 1.00 0.00 H new ATOM 0 HG3 MET A 60 5.835 -1.702 -4.558 1.00 0.00 H new ATOM 0 HE1 MET A 60 8.317 1.800 -6.008 1.00 0.00 H new ATOM 0 HE2 MET A 60 8.647 0.577 -4.758 1.00 0.00 H new ATOM 0 HE3 MET A 60 8.969 0.210 -6.469 1.00 0.00 H new ATOM 940 N ILE A 61 5.025 -3.019 -2.759 1.00 0.00 N ATOM 941 CA ILE A 61 3.940 -3.962 -3.034 1.00 0.00 C ATOM 942 C ILE A 61 3.271 -4.368 -1.724 1.00 0.00 C ATOM 943 O ILE A 61 2.060 -4.266 -1.579 1.00 0.00 O ATOM 944 CB ILE A 61 4.478 -5.220 -3.733 1.00 0.00 C ATOM 945 CG1 ILE A 61 4.806 -4.884 -5.190 1.00 0.00 C ATOM 946 CG2 ILE A 61 3.430 -6.340 -3.687 1.00 0.00 C ATOM 947 CD1 ILE A 61 5.792 -5.913 -5.745 1.00 0.00 C ATOM 0 H ILE A 61 5.959 -3.380 -2.956 1.00 0.00 H new ATOM 0 HA ILE A 61 3.217 -3.475 -3.688 1.00 0.00 H new ATOM 0 HB ILE A 61 5.378 -5.559 -3.220 1.00 0.00 H new ATOM 0 HG12 ILE A 61 3.894 -4.881 -5.787 1.00 0.00 H new ATOM 0 HG13 ILE A 61 5.234 -3.884 -5.256 1.00 0.00 H new ATOM 0 HG21 ILE A 61 3.823 -7.226 -4.185 1.00 0.00 H new ATOM 0 HG22 ILE A 61 3.199 -6.580 -2.649 1.00 0.00 H new ATOM 0 HG23 ILE A 61 2.523 -6.011 -4.194 1.00 0.00 H new ATOM 0 HD11 ILE A 61 6.024 -5.672 -6.782 1.00 0.00 H new ATOM 0 HD12 ILE A 61 6.708 -5.895 -5.154 1.00 0.00 H new ATOM 0 HD13 ILE A 61 5.348 -6.907 -5.694 1.00 0.00 H new ATOM 959 N ASP A 62 4.090 -4.822 -0.775 1.00 0.00 N ATOM 960 CA ASP A 62 3.584 -5.242 0.535 1.00 0.00 C ATOM 961 C ASP A 62 2.776 -4.120 1.196 1.00 0.00 C ATOM 962 O ASP A 62 1.794 -4.380 1.896 1.00 0.00 O ATOM 963 CB ASP A 62 4.745 -5.631 1.457 1.00 0.00 C ATOM 964 CG ASP A 62 5.208 -7.047 1.125 1.00 0.00 C ATOM 965 OD1 ASP A 62 6.020 -7.190 0.226 1.00 0.00 O ATOM 966 OD2 ASP A 62 4.743 -7.969 1.775 1.00 0.00 O ATOM 0 H ASP A 62 5.100 -4.909 -0.886 1.00 0.00 H new ATOM 0 HA ASP A 62 2.936 -6.104 0.378 1.00 0.00 H new ATOM 0 HB2 ASP A 62 5.570 -4.929 1.335 1.00 0.00 H new ATOM 0 HB3 ASP A 62 4.430 -5.575 2.499 1.00 0.00 H new ATOM 971 N GLU A 63 3.200 -2.872 0.967 1.00 0.00 N ATOM 972 CA GLU A 63 2.511 -1.715 1.545 1.00 0.00 C ATOM 973 C GLU A 63 1.131 -1.509 0.907 1.00 0.00 C ATOM 974 O GLU A 63 0.122 -1.425 1.608 1.00 0.00 O ATOM 975 CB GLU A 63 3.344 -0.443 1.350 1.00 0.00 C ATOM 976 CG GLU A 63 4.327 -0.286 2.513 1.00 0.00 C ATOM 977 CD GLU A 63 3.615 0.345 3.707 1.00 0.00 C ATOM 978 OE1 GLU A 63 3.500 1.560 3.730 1.00 0.00 O ATOM 979 OE2 GLU A 63 3.197 -0.395 4.582 1.00 0.00 O ATOM 0 H GLU A 63 4.009 -2.639 0.391 1.00 0.00 H new ATOM 0 HA GLU A 63 2.381 -1.913 2.609 1.00 0.00 H new ATOM 0 HB2 GLU A 63 3.887 -0.494 0.406 1.00 0.00 H new ATOM 0 HB3 GLU A 63 2.689 0.427 1.295 1.00 0.00 H new ATOM 0 HG2 GLU A 63 4.734 -1.258 2.792 1.00 0.00 H new ATOM 0 HG3 GLU A 63 5.169 0.336 2.209 1.00 0.00 H new ATOM 986 N VAL A 64 1.102 -1.417 -0.429 1.00 0.00 N ATOM 987 CA VAL A 64 -0.161 -1.205 -1.152 1.00 0.00 C ATOM 988 C VAL A 64 -1.057 -2.450 -1.097 1.00 0.00 C ATOM 989 O VAL A 64 -2.278 -2.338 -0.960 1.00 0.00 O ATOM 990 CB VAL A 64 0.107 -0.827 -2.621 1.00 0.00 C ATOM 991 CG1 VAL A 64 0.815 -1.977 -3.347 1.00 0.00 C ATOM 992 CG2 VAL A 64 -1.218 -0.528 -3.326 1.00 0.00 C ATOM 0 H VAL A 64 1.927 -1.485 -1.026 1.00 0.00 H new ATOM 0 HA VAL A 64 -0.681 -0.384 -0.659 1.00 0.00 H new ATOM 0 HB VAL A 64 0.745 0.056 -2.643 1.00 0.00 H new ATOM 0 HG11 VAL A 64 0.998 -1.695 -4.384 1.00 0.00 H new ATOM 0 HG12 VAL A 64 1.765 -2.188 -2.856 1.00 0.00 H new ATOM 0 HG13 VAL A 64 0.187 -2.867 -3.318 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -1.025 -0.261 -4.365 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -1.856 -1.411 -3.291 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -1.718 0.301 -2.825 1.00 0.00 H new ATOM 1002 N ASP A 65 -0.443 -3.632 -1.208 1.00 0.00 N ATOM 1003 CA ASP A 65 -1.195 -4.886 -1.175 1.00 0.00 C ATOM 1004 C ASP A 65 -1.696 -5.171 0.240 1.00 0.00 C ATOM 1005 O ASP A 65 -0.917 -5.507 1.135 1.00 0.00 O ATOM 1006 CB ASP A 65 -0.322 -6.062 -1.646 1.00 0.00 C ATOM 1007 CG ASP A 65 -1.144 -7.023 -2.509 1.00 0.00 C ATOM 1008 OD1 ASP A 65 -2.304 -7.243 -2.192 1.00 0.00 O ATOM 1009 OD2 ASP A 65 -0.597 -7.532 -3.473 1.00 0.00 O ATOM 0 H ASP A 65 0.564 -3.745 -1.321 1.00 0.00 H new ATOM 0 HA ASP A 65 -2.045 -4.781 -1.849 1.00 0.00 H new ATOM 0 HB2 ASP A 65 0.528 -5.687 -2.216 1.00 0.00 H new ATOM 0 HB3 ASP A 65 0.082 -6.592 -0.783 1.00 0.00 H new ATOM 1014 N GLU A 66 -3.008 -5.034 0.423 1.00 0.00 N ATOM 1015 CA GLU A 66 -3.623 -5.281 1.730 1.00 0.00 C ATOM 1016 C GLU A 66 -3.672 -6.782 2.011 1.00 0.00 C ATOM 1017 O GLU A 66 -3.393 -7.229 3.125 1.00 0.00 O ATOM 1018 CB GLU A 66 -5.047 -4.713 1.777 1.00 0.00 C ATOM 1019 CG GLU A 66 -5.033 -3.255 1.307 1.00 0.00 C ATOM 1020 CD GLU A 66 -6.314 -2.558 1.755 1.00 0.00 C ATOM 1021 OE1 GLU A 66 -7.283 -2.606 1.014 1.00 0.00 O ATOM 1022 OE2 GLU A 66 -6.307 -1.984 2.833 1.00 0.00 O ATOM 0 H GLU A 66 -3.662 -4.756 -0.308 1.00 0.00 H new ATOM 0 HA GLU A 66 -3.018 -4.784 2.488 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -5.707 -5.304 1.142 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -5.441 -4.775 2.791 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -4.165 -2.739 1.717 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -4.946 -3.214 0.221 1.00 0.00 H new ATOM 1029 N ASP A 67 -4.023 -7.551 0.977 1.00 0.00 N ATOM 1030 CA ASP A 67 -4.103 -9.011 1.100 1.00 0.00 C ATOM 1031 C ASP A 67 -2.720 -9.652 0.950 1.00 0.00 C ATOM 1032 O ASP A 67 -2.400 -10.622 1.640 1.00 0.00 O ATOM 1033 CB ASP A 67 -5.056 -9.607 0.047 1.00 0.00 C ATOM 1034 CG ASP A 67 -4.795 -8.990 -1.330 1.00 0.00 C ATOM 1035 OD1 ASP A 67 -5.306 -7.909 -1.583 1.00 0.00 O ATOM 1036 OD2 ASP A 67 -4.093 -9.608 -2.111 1.00 0.00 O ATOM 0 H ASP A 67 -4.255 -7.191 0.051 1.00 0.00 H new ATOM 0 HA ASP A 67 -4.492 -9.229 2.095 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -4.922 -10.688 -0.002 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -6.090 -9.427 0.342 1.00 0.00 H new ATOM 1041 N GLY A 68 -1.908 -9.104 0.042 1.00 0.00 N ATOM 1042 CA GLY A 68 -0.565 -9.634 -0.196 1.00 0.00 C ATOM 1043 C GLY A 68 -0.640 -10.950 -0.966 1.00 0.00 C ATOM 1044 O GLY A 68 -0.030 -11.947 -0.578 1.00 0.00 O ATOM 0 H GLY A 68 -2.155 -8.300 -0.535 1.00 0.00 H new ATOM 0 HA2 GLY A 68 0.024 -8.910 -0.758 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -0.055 -9.790 0.755 1.00 0.00 H new ATOM 1048 N SER A 69 -1.413 -10.938 -2.055 1.00 0.00 N ATOM 1049 CA SER A 69 -1.589 -12.138 -2.883 1.00 0.00 C ATOM 1050 C SER A 69 -0.521 -12.250 -3.985 1.00 0.00 C ATOM 1051 O SER A 69 -0.614 -13.125 -4.851 1.00 0.00 O ATOM 1052 CB SER A 69 -2.973 -12.122 -3.541 1.00 0.00 C ATOM 1053 OG SER A 69 -3.085 -10.977 -4.380 1.00 0.00 O ATOM 0 H SER A 69 -1.924 -10.119 -2.384 1.00 0.00 H new ATOM 0 HA SER A 69 -1.487 -12.998 -2.221 1.00 0.00 H new ATOM 0 HB2 SER A 69 -3.120 -13.030 -4.125 1.00 0.00 H new ATOM 0 HB3 SER A 69 -3.751 -12.104 -2.777 1.00 0.00 H new ATOM 0 HG SER A 69 -3.430 -10.222 -3.859 1.00 0.00 H new ATOM 1059 N GLY A 70 0.486 -11.366 -3.962 1.00 0.00 N ATOM 1060 CA GLY A 70 1.537 -11.396 -4.981 1.00 0.00 C ATOM 1061 C GLY A 70 1.001 -10.920 -6.335 1.00 0.00 C ATOM 1062 O GLY A 70 1.486 -11.337 -7.388 1.00 0.00 O ATOM 0 H GLY A 70 0.592 -10.634 -3.260 1.00 0.00 H new ATOM 0 HA2 GLY A 70 2.368 -10.762 -4.671 1.00 0.00 H new ATOM 0 HA3 GLY A 70 1.928 -12.409 -5.076 1.00 0.00 H new ATOM 1066 N THR A 71 -0.009 -10.042 -6.288 1.00 0.00 N ATOM 1067 CA THR A 71 -0.623 -9.501 -7.506 1.00 0.00 C ATOM 1068 C THR A 71 -1.177 -8.102 -7.240 1.00 0.00 C ATOM 1069 O THR A 71 -1.665 -7.815 -6.144 1.00 0.00 O ATOM 1070 CB THR A 71 -1.773 -10.401 -7.991 1.00 0.00 C ATOM 1071 OG1 THR A 71 -2.858 -10.319 -7.075 1.00 0.00 O ATOM 1072 CG2 THR A 71 -1.297 -11.853 -8.083 1.00 0.00 C ATOM 0 H THR A 71 -0.417 -9.692 -5.421 1.00 0.00 H new ATOM 0 HA THR A 71 0.149 -9.459 -8.275 1.00 0.00 H new ATOM 0 HB THR A 71 -2.097 -10.066 -8.976 1.00 0.00 H new ATOM 0 HG1 THR A 71 -2.570 -10.645 -6.197 1.00 0.00 H new ATOM 0 HG21 THR A 71 -2.117 -12.484 -8.427 1.00 0.00 H new ATOM 0 HG22 THR A 71 -0.468 -11.920 -8.787 1.00 0.00 H new ATOM 0 HG23 THR A 71 -0.967 -12.191 -7.101 1.00 0.00 H new ATOM 1080 N VAL A 72 -1.107 -7.236 -8.251 1.00 0.00 N ATOM 1081 CA VAL A 72 -1.616 -5.872 -8.104 1.00 0.00 C ATOM 1082 C VAL A 72 -2.920 -5.701 -8.872 1.00 0.00 C ATOM 1083 O VAL A 72 -2.948 -5.777 -10.102 1.00 0.00 O ATOM 1084 CB VAL A 72 -0.616 -4.832 -8.624 1.00 0.00 C ATOM 1085 CG1 VAL A 72 -1.039 -3.439 -8.149 1.00 0.00 C ATOM 1086 CG2 VAL A 72 0.785 -5.136 -8.096 1.00 0.00 C ATOM 0 H VAL A 72 -0.710 -7.449 -9.166 1.00 0.00 H new ATOM 0 HA VAL A 72 -1.778 -5.712 -7.038 1.00 0.00 H new ATOM 0 HB VAL A 72 -0.604 -4.868 -9.713 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -0.330 -2.698 -8.517 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -2.034 -3.211 -8.532 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -1.055 -3.415 -7.059 1.00 0.00 H new ATOM 0 HG21 VAL A 72 1.485 -4.390 -8.472 1.00 0.00 H new ATOM 0 HG22 VAL A 72 0.777 -5.109 -7.006 1.00 0.00 H new ATOM 0 HG23 VAL A 72 1.094 -6.126 -8.432 1.00 0.00 H new ATOM 1096 N ASP A 73 -3.989 -5.430 -8.131 1.00 0.00 N ATOM 1097 CA ASP A 73 -5.296 -5.203 -8.744 1.00 0.00 C ATOM 1098 C ASP A 73 -5.346 -3.765 -9.258 1.00 0.00 C ATOM 1099 O ASP A 73 -4.445 -2.976 -8.974 1.00 0.00 O ATOM 1100 CB ASP A 73 -6.419 -5.417 -7.724 1.00 0.00 C ATOM 1101 CG ASP A 73 -7.533 -6.253 -8.349 1.00 0.00 C ATOM 1102 OD1 ASP A 73 -8.368 -5.679 -9.030 1.00 0.00 O ATOM 1103 OD2 ASP A 73 -7.535 -7.454 -8.135 1.00 0.00 O ATOM 0 H ASP A 73 -3.979 -5.362 -7.113 1.00 0.00 H new ATOM 0 HA ASP A 73 -5.437 -5.909 -9.562 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -6.028 -5.919 -6.839 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -6.814 -4.455 -7.397 1.00 0.00 H new ATOM 1108 N PHE A 74 -6.388 -3.422 -10.016 1.00 0.00 N ATOM 1109 CA PHE A 74 -6.494 -2.061 -10.545 1.00 0.00 C ATOM 1110 C PHE A 74 -6.538 -1.035 -9.409 1.00 0.00 C ATOM 1111 O PHE A 74 -5.968 0.050 -9.527 1.00 0.00 O ATOM 1112 CB PHE A 74 -7.733 -1.898 -11.432 1.00 0.00 C ATOM 1113 CG PHE A 74 -7.596 -0.639 -12.251 1.00 0.00 C ATOM 1114 CD1 PHE A 74 -6.402 -0.380 -12.931 1.00 0.00 C ATOM 1115 CD2 PHE A 74 -8.658 0.266 -12.332 1.00 0.00 C ATOM 1116 CE1 PHE A 74 -6.268 0.785 -13.691 1.00 0.00 C ATOM 1117 CE2 PHE A 74 -8.526 1.433 -13.092 1.00 0.00 C ATOM 1118 CZ PHE A 74 -7.332 1.691 -13.771 1.00 0.00 C ATOM 0 H PHE A 74 -7.152 -4.048 -10.273 1.00 0.00 H new ATOM 0 HA PHE A 74 -5.607 -1.883 -11.153 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -7.842 -2.762 -12.087 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -8.631 -1.850 -10.817 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -5.583 -1.081 -12.869 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -9.581 0.064 -11.808 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -5.346 0.986 -14.215 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -9.346 2.134 -13.154 1.00 0.00 H new ATOM 0 HZ PHE A 74 -7.230 2.591 -14.359 1.00 0.00 H new ATOM 1128 N ASP A 75 -7.198 -1.396 -8.301 1.00 0.00 N ATOM 1129 CA ASP A 75 -7.279 -0.499 -7.146 1.00 0.00 C ATOM 1130 C ASP A 75 -5.886 -0.311 -6.539 1.00 0.00 C ATOM 1131 O ASP A 75 -5.481 0.808 -6.218 1.00 0.00 O ATOM 1132 CB ASP A 75 -8.223 -1.066 -6.079 1.00 0.00 C ATOM 1133 CG ASP A 75 -8.675 0.055 -5.148 1.00 0.00 C ATOM 1134 OD1 ASP A 75 -9.679 0.679 -5.445 1.00 0.00 O ATOM 1135 OD2 ASP A 75 -8.007 0.274 -4.150 1.00 0.00 O ATOM 0 H ASP A 75 -7.676 -2.289 -8.182 1.00 0.00 H new ATOM 0 HA ASP A 75 -7.669 0.461 -7.485 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -9.088 -1.529 -6.553 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -7.717 -1.845 -5.508 1.00 0.00 H new ATOM 1140 N GLU A 76 -5.155 -1.425 -6.408 1.00 0.00 N ATOM 1141 CA GLU A 76 -3.794 -1.392 -5.861 1.00 0.00 C ATOM 1142 C GLU A 76 -2.834 -0.721 -6.854 1.00 0.00 C ATOM 1143 O GLU A 76 -1.826 -0.133 -6.460 1.00 0.00 O ATOM 1144 CB GLU A 76 -3.286 -2.814 -5.581 1.00 0.00 C ATOM 1145 CG GLU A 76 -4.262 -3.553 -4.656 1.00 0.00 C ATOM 1146 CD GLU A 76 -3.904 -5.043 -4.600 1.00 0.00 C ATOM 1147 OE1 GLU A 76 -2.726 -5.355 -4.514 1.00 0.00 O ATOM 1148 OE2 GLU A 76 -4.816 -5.851 -4.641 1.00 0.00 O ATOM 0 H GLU A 76 -5.481 -2.355 -6.672 1.00 0.00 H new ATOM 0 HA GLU A 76 -3.825 -0.824 -4.931 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -3.177 -3.360 -6.518 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -2.299 -2.771 -5.121 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -4.224 -3.123 -3.655 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -5.283 -3.429 -5.017 1.00 0.00 H new ATOM 1155 N PHE A 77 -3.167 -0.827 -8.146 1.00 0.00 N ATOM 1156 CA PHE A 77 -2.349 -0.247 -9.215 1.00 0.00 C ATOM 1157 C PHE A 77 -2.332 1.280 -9.120 1.00 0.00 C ATOM 1158 O PHE A 77 -1.267 1.897 -9.052 1.00 0.00 O ATOM 1159 CB PHE A 77 -2.924 -0.659 -10.577 1.00 0.00 C ATOM 1160 CG PHE A 77 -1.840 -0.858 -11.617 1.00 0.00 C ATOM 1161 CD1 PHE A 77 -0.494 -1.046 -11.254 1.00 0.00 C ATOM 1162 CD2 PHE A 77 -2.204 -0.866 -12.965 1.00 0.00 C ATOM 1163 CE1 PHE A 77 0.473 -1.236 -12.247 1.00 0.00 C ATOM 1164 CE2 PHE A 77 -1.237 -1.059 -13.952 1.00 0.00 C ATOM 1165 CZ PHE A 77 0.099 -1.243 -13.595 1.00 0.00 C ATOM 0 H PHE A 77 -4.002 -1.312 -8.476 1.00 0.00 H new ATOM 0 HA PHE A 77 -1.329 -0.616 -9.109 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -3.493 -1.582 -10.466 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -3.621 0.105 -10.922 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -0.208 -1.044 -10.213 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -3.237 -0.722 -13.244 1.00 0.00 H new ATOM 0 HE1 PHE A 77 1.508 -1.377 -11.973 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -1.523 -1.066 -14.993 1.00 0.00 H new ATOM 0 HZ PHE A 77 0.846 -1.391 -14.361 1.00 0.00 H new ATOM 1175 N LEU A 78 -3.529 1.879 -9.122 1.00 0.00 N ATOM 1176 CA LEU A 78 -3.659 3.336 -9.038 1.00 0.00 C ATOM 1177 C LEU A 78 -3.138 3.852 -7.694 1.00 0.00 C ATOM 1178 O LEU A 78 -2.533 4.925 -7.623 1.00 0.00 O ATOM 1179 CB LEU A 78 -5.125 3.754 -9.206 1.00 0.00 C ATOM 1180 CG LEU A 78 -5.868 3.113 -10.388 1.00 0.00 C ATOM 1181 CD1 LEU A 78 -7.146 3.900 -10.675 1.00 0.00 C ATOM 1182 CD2 LEU A 78 -4.969 3.116 -11.631 1.00 0.00 C ATOM 0 H LEU A 78 -4.416 1.379 -9.181 1.00 0.00 H new ATOM 0 HA LEU A 78 -3.064 3.771 -9.841 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -5.661 3.511 -8.289 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -5.164 4.837 -9.320 1.00 0.00 H new ATOM 0 HG LEU A 78 -6.125 2.084 -10.136 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -7.673 3.445 -11.514 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -7.787 3.887 -9.794 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -6.891 4.930 -10.923 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -5.501 2.660 -12.466 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -4.704 4.142 -11.886 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -4.062 2.548 -11.425 1.00 0.00 H new ATOM 1194 N VAL A 79 -3.371 3.071 -6.632 1.00 0.00 N ATOM 1195 CA VAL A 79 -2.913 3.449 -5.291 1.00 0.00 C ATOM 1196 C VAL A 79 -1.382 3.517 -5.265 1.00 0.00 C ATOM 1197 O VAL A 79 -0.802 4.497 -4.803 1.00 0.00 O ATOM 1198 CB VAL A 79 -3.415 2.432 -4.248 1.00 0.00 C ATOM 1199 CG1 VAL A 79 -2.455 2.370 -3.057 1.00 0.00 C ATOM 1200 CG2 VAL A 79 -4.802 2.853 -3.756 1.00 0.00 C ATOM 0 H VAL A 79 -3.869 2.182 -6.675 1.00 0.00 H new ATOM 0 HA VAL A 79 -3.318 4.430 -5.043 1.00 0.00 H new ATOM 0 HB VAL A 79 -3.466 1.447 -4.713 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -2.824 1.647 -2.329 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -1.467 2.066 -3.402 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -2.390 3.353 -2.591 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -5.160 2.135 -3.018 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -4.742 3.842 -3.301 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -5.493 2.882 -4.598 1.00 0.00 H new ATOM 1210 N MET A 80 -0.743 2.458 -5.770 1.00 0.00 N ATOM 1211 CA MET A 80 0.724 2.384 -5.818 1.00 0.00 C ATOM 1212 C MET A 80 1.343 3.690 -6.339 1.00 0.00 C ATOM 1213 O MET A 80 2.443 4.066 -5.929 1.00 0.00 O ATOM 1214 CB MET A 80 1.169 1.237 -6.731 1.00 0.00 C ATOM 1215 CG MET A 80 2.249 0.412 -6.028 1.00 0.00 C ATOM 1216 SD MET A 80 3.108 -0.619 -7.243 1.00 0.00 S ATOM 1217 CE MET A 80 2.518 -2.223 -6.645 1.00 0.00 C ATOM 0 H MET A 80 -1.216 1.639 -6.152 1.00 0.00 H new ATOM 0 HA MET A 80 1.068 2.212 -4.798 1.00 0.00 H new ATOM 0 HB2 MET A 80 0.317 0.604 -6.978 1.00 0.00 H new ATOM 0 HB3 MET A 80 1.554 1.634 -7.670 1.00 0.00 H new ATOM 0 HG2 MET A 80 2.958 1.072 -5.529 1.00 0.00 H new ATOM 0 HG3 MET A 80 1.799 -0.214 -5.257 1.00 0.00 H new ATOM 0 HE1 MET A 80 3.016 -3.022 -7.194 1.00 0.00 H new ATOM 0 HE2 MET A 80 2.741 -2.320 -5.582 1.00 0.00 H new ATOM 0 HE3 MET A 80 1.441 -2.295 -6.798 1.00 0.00 H new ATOM 1227 N MET A 81 0.627 4.375 -7.244 1.00 0.00 N ATOM 1228 CA MET A 81 1.122 5.634 -7.807 1.00 0.00 C ATOM 1229 C MET A 81 1.222 6.707 -6.722 1.00 0.00 C ATOM 1230 O MET A 81 2.288 7.277 -6.501 1.00 0.00 O ATOM 1231 CB MET A 81 0.191 6.129 -8.914 1.00 0.00 C ATOM 1232 CG MET A 81 0.934 7.134 -9.800 1.00 0.00 C ATOM 1233 SD MET A 81 0.002 8.684 -9.867 1.00 0.00 S ATOM 1234 CE MET A 81 -1.530 8.004 -10.549 1.00 0.00 C ATOM 0 H MET A 81 -0.284 4.081 -7.596 1.00 0.00 H new ATOM 0 HA MET A 81 2.112 5.447 -8.222 1.00 0.00 H new ATOM 0 HB2 MET A 81 -0.157 5.288 -9.514 1.00 0.00 H new ATOM 0 HB3 MET A 81 -0.692 6.596 -8.478 1.00 0.00 H new ATOM 0 HG2 MET A 81 1.933 7.315 -9.404 1.00 0.00 H new ATOM 0 HG3 MET A 81 1.058 6.728 -10.804 1.00 0.00 H new ATOM 0 HE1 MET A 81 -1.619 8.288 -11.598 1.00 0.00 H new ATOM 0 HE2 MET A 81 -1.514 6.917 -10.467 1.00 0.00 H new ATOM 0 HE3 MET A 81 -2.382 8.397 -9.994 1.00 0.00 H new ATOM 1244 N VAL A 82 0.098 6.966 -6.046 1.00 0.00 N ATOM 1245 CA VAL A 82 0.068 7.971 -4.973 1.00 0.00 C ATOM 1246 C VAL A 82 0.953 7.539 -3.799 1.00 0.00 C ATOM 1247 O VAL A 82 1.487 8.378 -3.074 1.00 0.00 O ATOM 1248 CB VAL A 82 -1.362 8.202 -4.466 1.00 0.00 C ATOM 1249 CG1 VAL A 82 -2.192 8.870 -5.563 1.00 0.00 C ATOM 1250 CG2 VAL A 82 -2.007 6.867 -4.087 1.00 0.00 C ATOM 0 H VAL A 82 -0.794 6.501 -6.218 1.00 0.00 H new ATOM 0 HA VAL A 82 0.449 8.902 -5.392 1.00 0.00 H new ATOM 0 HB VAL A 82 -1.326 8.846 -3.587 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -3.207 9.034 -5.202 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -1.742 9.827 -5.828 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -2.219 8.226 -6.442 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -3.021 7.042 -3.728 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -2.038 6.217 -4.961 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -1.421 6.390 -3.301 1.00 0.00 H new ATOM 1260 N ARG A 83 1.112 6.222 -3.629 1.00 0.00 N ATOM 1261 CA ARG A 83 1.948 5.685 -2.553 1.00 0.00 C ATOM 1262 C ARG A 83 3.405 6.108 -2.748 1.00 0.00 C ATOM 1263 O ARG A 83 4.116 6.394 -1.782 1.00 0.00 O ATOM 1264 CB ARG A 83 1.883 4.153 -2.532 1.00 0.00 C ATOM 1265 CG ARG A 83 0.515 3.694 -2.016 1.00 0.00 C ATOM 1266 CD ARG A 83 0.693 2.955 -0.687 1.00 0.00 C ATOM 1267 NE ARG A 83 -0.603 2.555 -0.134 1.00 0.00 N ATOM 1268 CZ ARG A 83 -0.701 1.928 1.046 1.00 0.00 C ATOM 1269 NH1 ARG A 83 0.374 1.635 1.741 1.00 0.00 N ATOM 1270 NH2 ARG A 83 -1.881 1.600 1.508 1.00 0.00 N ATOM 0 H ARG A 83 0.676 5.514 -4.219 1.00 0.00 H new ATOM 0 HA ARG A 83 1.571 6.081 -1.610 1.00 0.00 H new ATOM 0 HB2 ARG A 83 2.054 3.760 -3.534 1.00 0.00 H new ATOM 0 HB3 ARG A 83 2.673 3.756 -1.895 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -0.142 4.553 -1.881 1.00 0.00 H new ATOM 0 HG3 ARG A 83 0.039 3.040 -2.747 1.00 0.00 H new ATOM 0 HD2 ARG A 83 1.317 2.074 -0.837 1.00 0.00 H new ATOM 0 HD3 ARG A 83 1.214 3.597 0.024 1.00 0.00 H new ATOM 0 HE ARG A 83 -1.452 2.759 -0.661 1.00 0.00 H new ATOM 0 HH11 ARG A 83 1.296 1.885 1.384 1.00 0.00 H new ATOM 0 HH12 ARG A 83 0.287 1.157 2.638 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -2.719 1.822 0.970 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -1.963 1.123 2.406 1.00 0.00 H new ATOM 1284 N CYS A 84 3.836 6.143 -4.013 1.00 0.00 N ATOM 1285 CA CYS A 84 5.211 6.529 -4.342 1.00 0.00 C ATOM 1286 C CYS A 84 5.321 8.042 -4.547 1.00 0.00 C ATOM 1287 O CYS A 84 6.274 8.671 -4.086 1.00 0.00 O ATOM 1288 CB CYS A 84 5.678 5.819 -5.617 1.00 0.00 C ATOM 1289 SG CYS A 84 6.132 4.111 -5.222 1.00 0.00 S ATOM 0 H CYS A 84 3.257 5.911 -4.820 1.00 0.00 H new ATOM 0 HA CYS A 84 5.844 6.234 -3.506 1.00 0.00 H new ATOM 0 HB2 CYS A 84 4.885 5.833 -6.365 1.00 0.00 H new ATOM 0 HB3 CYS A 84 6.531 6.344 -6.047 1.00 0.00 H new ATOM 0 HG CYS A 84 6.526 3.506 -6.303 1.00 0.00 H new ATOM 1295 N MET A 85 4.332 8.617 -5.242 1.00 0.00 N ATOM 1296 CA MET A 85 4.318 10.057 -5.507 1.00 0.00 C ATOM 1297 C MET A 85 4.181 10.851 -4.205 1.00 0.00 C ATOM 1298 O MET A 85 4.770 11.924 -4.058 1.00 0.00 O ATOM 1299 CB MET A 85 3.153 10.419 -6.435 1.00 0.00 C ATOM 1300 CG MET A 85 3.502 11.678 -7.230 1.00 0.00 C ATOM 1301 SD MET A 85 4.188 11.208 -8.840 1.00 0.00 S ATOM 1302 CE MET A 85 5.936 11.273 -8.374 1.00 0.00 C ATOM 0 H MET A 85 3.536 8.109 -5.628 1.00 0.00 H new ATOM 0 HA MET A 85 5.263 10.314 -5.986 1.00 0.00 H new ATOM 0 HB2 MET A 85 2.947 9.593 -7.115 1.00 0.00 H new ATOM 0 HB3 MET A 85 2.248 10.585 -5.851 1.00 0.00 H new ATOM 0 HG2 MET A 85 2.612 12.292 -7.368 1.00 0.00 H new ATOM 0 HG3 MET A 85 4.223 12.281 -6.678 1.00 0.00 H new ATOM 0 HE1 MET A 85 6.523 11.647 -9.213 1.00 0.00 H new ATOM 0 HE2 MET A 85 6.060 11.938 -7.520 1.00 0.00 H new ATOM 0 HE3 MET A 85 6.279 10.273 -8.108 1.00 0.00 H new ATOM 1312 N LYS A 86 3.393 10.308 -3.268 1.00 0.00 N ATOM 1313 CA LYS A 86 3.164 10.956 -1.972 1.00 0.00 C ATOM 1314 C LYS A 86 2.286 12.196 -2.144 1.00 0.00 C ATOM 1315 O LYS A 86 2.740 13.239 -2.619 1.00 0.00 O ATOM 1316 CB LYS A 86 4.493 11.348 -1.311 1.00 0.00 C ATOM 1317 CG LYS A 86 4.366 11.231 0.211 1.00 0.00 C ATOM 1318 CD LYS A 86 4.536 9.767 0.628 1.00 0.00 C ATOM 1319 CE LYS A 86 4.363 9.641 2.145 1.00 0.00 C ATOM 1320 NZ LYS A 86 2.935 9.347 2.465 1.00 0.00 N ATOM 0 H LYS A 86 2.903 9.421 -3.384 1.00 0.00 H new ATOM 0 HA LYS A 86 2.653 10.242 -1.326 1.00 0.00 H new ATOM 0 HB2 LYS A 86 5.294 10.701 -1.670 1.00 0.00 H new ATOM 0 HB3 LYS A 86 4.760 12.368 -1.586 1.00 0.00 H new ATOM 0 HG2 LYS A 86 5.121 11.849 0.698 1.00 0.00 H new ATOM 0 HG3 LYS A 86 3.393 11.602 0.535 1.00 0.00 H new ATOM 0 HD2 LYS A 86 3.802 9.145 0.115 1.00 0.00 H new ATOM 0 HD3 LYS A 86 5.521 9.406 0.333 1.00 0.00 H new ATOM 0 HE2 LYS A 86 5.003 8.847 2.529 1.00 0.00 H new ATOM 0 HE3 LYS A 86 4.673 10.564 2.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 2.820 9.262 3.495 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 2.334 10.119 2.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 2.654 8.455 2.011 1.00 0.00 H new ATOM 1334 N ASP A 87 1.015 12.058 -1.756 1.00 0.00 N ATOM 1335 CA ASP A 87 0.051 13.159 -1.866 1.00 0.00 C ATOM 1336 C ASP A 87 0.526 14.398 -1.098 1.00 0.00 C ATOM 1337 O ASP A 87 0.367 15.524 -1.571 1.00 0.00 O ATOM 1338 CB ASP A 87 -1.333 12.736 -1.338 1.00 0.00 C ATOM 1339 CG ASP A 87 -1.206 12.070 0.033 1.00 0.00 C ATOM 1340 OD1 ASP A 87 -0.936 10.879 0.070 1.00 0.00 O ATOM 1341 OD2 ASP A 87 -1.385 12.759 1.025 1.00 0.00 O ATOM 0 H ASP A 87 0.630 11.199 -1.364 1.00 0.00 H new ATOM 0 HA ASP A 87 -0.028 13.409 -2.924 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -1.983 13.608 -1.266 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -1.801 12.047 -2.041 1.00 0.00 H new ATOM 1346 N ASP A 88 1.108 14.176 0.091 1.00 0.00 N ATOM 1347 CA ASP A 88 1.604 15.279 0.926 1.00 0.00 C ATOM 1348 C ASP A 88 0.494 16.300 1.212 1.00 0.00 C ATOM 1349 O ASP A 88 0.747 17.505 1.306 1.00 0.00 O ATOM 1350 CB ASP A 88 2.782 15.987 0.238 1.00 0.00 C ATOM 1351 CG ASP A 88 4.057 15.173 0.438 1.00 0.00 C ATOM 1352 OD1 ASP A 88 4.643 15.278 1.504 1.00 0.00 O ATOM 1353 OD2 ASP A 88 4.429 14.460 -0.478 1.00 0.00 O ATOM 0 H ASP A 88 1.246 13.249 0.493 1.00 0.00 H new ATOM 0 HA ASP A 88 1.939 14.851 1.871 1.00 0.00 H new ATOM 0 HB2 ASP A 88 2.577 16.105 -0.826 1.00 0.00 H new ATOM 0 HB3 ASP A 88 2.909 16.988 0.651 1.00 0.00 H new ATOM 1358 N SER A 89 -0.740 15.804 1.352 1.00 0.00 N ATOM 1359 CA SER A 89 -1.884 16.676 1.628 1.00 0.00 C ATOM 1360 C SER A 89 -3.036 15.872 2.231 1.00 0.00 C ATOM 1361 O SER A 89 -3.464 16.217 3.320 1.00 0.00 O ATOM 1362 CB SER A 89 -2.361 17.356 0.340 1.00 0.00 C ATOM 1363 OG SER A 89 -1.710 18.613 0.201 1.00 0.00 O ATOM 1364 OXT SER A 89 -3.471 14.920 1.598 1.00 0.00 O ATOM 0 H SER A 89 -0.970 14.813 1.279 1.00 0.00 H new ATOM 0 HA SER A 89 -1.565 17.437 2.340 1.00 0.00 H new ATOM 0 HB2 SER A 89 -2.143 16.724 -0.521 1.00 0.00 H new ATOM 0 HB3 SER A 89 -3.442 17.495 0.368 1.00 0.00 H new ATOM 0 HG SER A 89 -0.782 18.537 0.507 1.00 0.00 H new TER 1370 SER A 89 HETATM 1371 CA CA A 90 -3.220 -8.147 -4.365 1.00 0.00 CA